CAS No.: 910487-58-0 — 2-({6-Amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl}sulfanyl)acetamide (BAY 60-6583)

1. Primary Information

English name:	2-({6-Amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl}sulfanyl)acetamide
CAS No.:	910487-58-0
Molecular formula:	C₁₉H₁₇N₅O₂S
Molecular weight:	379.4 g/mol
SMILES:	C1CC1COC2=CC=C(C=C2)C3=C(C(=NC(=C3C#N)SCC(=O)N)N)C#N
Structural class:
Other identifiers:	2-((6-amino-3,5-dicyano-4-(4-(cyclopropylmethoxy)phenyl)pyridin-2-yl)sulfanyl)acetamide BAY 60-6583 BAY-60-6583 BAY60-6583

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	95%	616	-20℃	in stock	-
Kehua Intelligence	10mg	95%	776	-20℃	in stock	-
Kehua Intelligence	25mg	95%	1552	-20℃	in stock	-
Kehua Intelligence	100mg	95%	5760	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 44 46 0 0 0 0 0 0 0999 V2000 -3.8596 -1.5166 0.5210 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0142 0.2232 -0.4056 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8623 -2.3490 0.8508 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3159 1.0666 0.3125 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1073 3.4160 0.1486 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3148 -2.7142 0.2596 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3272 4.1791 -0.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9014 -2.2901 -1.4466 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9137 -1.1310 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 -2.2128 -0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -2.5452 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 -0.4055 0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 0.3579 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0846 0.5001 0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8627 0.3549 -1.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8995 0.6364 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7018 0.6392 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4799 0.4942 -1.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5347 0.7818 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 -0.3404 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 2.0479 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7194 -0.1465 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 2.1349 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7772 -1.6561 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3191 3.2287 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3485 -0.8574 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4398 -1.8962 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7712 -0.4852 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6883 -2.4704 -1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4325 -2.3275 -1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4012 -3.0309 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1442 -2.8807 0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0273 0.3593 1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0592 -1.1291 1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.5386 1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3094 0.2443 -2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 0.7559 2.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8693 0.4899 -2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6826 4.1455 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1151 3.4352 0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1215 -0.5827 -1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7114 0.0315 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5397 -1.9088 -2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6340 -2.9872 -1.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 26 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 27 2 0 0 0 0 4 22 1 0 0 0 0 4 23 2 0 0 0 0 5 23 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 24 3 0 0 0 0 7 25 3 0 0 0 0 8 27 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 18 2 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylacetamide

4.2 InChI

InChI=1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)