CAS No.: 135186-78-6 — Pyriftalid (环酯草醚)

1. Primary Information

English name:	Pyriftalid
CAS No.:	135186-78-6
Molecular formula:	C₁₅H₁₄N₂O₄S
Molecular weight:	318.3 g/mol
SMILES:	CC1C2=C(C(=CC=C2)SC3=NC(=CC(=N3)OC)OC)C(=O)O1
Structural class:
Other identifiers:	CGA 279233 pyriftalid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	104	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	312	2-8℃	in stock	-
Kehua Intelligence	10mg	99%	224	2-8℃	in stock	-
Kehua Intelligence	100mg	95%	384	2-8℃	in stock	-
Kehua Intelligence	250mg	95%	768	2-8℃	in stock	-
Kehua Intelligence	1g	95%	2800	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 38 0 1 0 0 0 0 0999 V2000 0.5257 1.8321 0.9809 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2269 -0.8217 1.5484 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2463 -0.2054 2.5411 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 -2.6869 -0.9404 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 0.1445 -0.0745 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -0.5728 -0.0477 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9448 0.8667 0.3925 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9621 -0.5364 0.3280 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0690 0.4191 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9479 0.6505 0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 1.5080 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0407 -0.1408 1.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -1.8335 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2223 1.0594 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 2.1558 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 1.9334 -2.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6345 0.5680 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 -1.5047 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -0.1094 -0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2962 -1.3269 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0193 -2.8147 -0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 1.4157 0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9099 -0.0650 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7739 -2.5301 0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7159 -1.6622 -1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 -2.3349 -0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0995 0.8931 -2.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 2.8433 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 2.4470 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9679 -2.0928 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3766 -2.7470 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2853 -3.8036 -1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -2.0645 -1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2324 1.5427 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0999 2.2243 -0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6025 1.4637 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 12 2 0 0 0 0 4 18 1 0 0 0 0 4 21 1 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 6 17 1 0 0 0 0 6 18 2 0 0 0 0 7 17 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 15 2 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

7-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3H-2-benzofuran-1-one

4.2 InChI

InChI=1S/C15H14N2O4S/c1-8-9-5-4-6-10(13(9)14(18)21-8)22-15-16-11(19-2)7-12(17-15)20-3/h4-8H,1-3H3

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)