CAS No.: 104098-48-8 — Imazapic (甲基咪草烟)

1. Primary Information

English name:	Imazapic
CAS No.:	104098-48-8
Molecular formula:	C₁₄H₁₇N₃O₃
Molecular weight:	275.30 g/mol
SMILES:	CC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O
Structural class:
Other identifiers:	(RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylnicotinic acid imazapic

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	1000μg/ml in methanol	464	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in acetonitrile	464	2-8℃	in stock	-
Kehua Intelligence	100mg	98%	256	2-8℃	in stock	-
Kehua Intelligence	500mg	98%	480	2-8℃	in stock	-
Kehua Intelligence	5g	98%	1792	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 37 38 0 1 0 0 0 0 0999 V2000 -3.1339 2.4839 0.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7485 -2.5428 -0.8906 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 -2.5043 1.3802 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1145 -0.4368 0.3332 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 1.7904 0.1127 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 1.6965 -0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4857 0.1331 0.3936 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3089 -0.4203 -0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2672 1.6247 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -0.1903 1.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6162 -0.1499 -2.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5553 -1.9180 -0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3173 0.5761 0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 0.5030 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7993 -0.7105 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1849 -0.6977 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8518 0.5109 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0931 1.6693 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 -1.9755 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 0.5584 -0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2851 0.0820 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1600 0.0958 1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0157 -1.2516 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5953 0.3625 2.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6539 -0.6655 -2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 -0.5126 -2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4569 0.9178 -2.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -2.4801 -0.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0722 -2.3248 -1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1973 -2.1256 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4523 2.6821 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.6289 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 2.6430 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6267 0.4143 -1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7302 1.5192 0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8043 -0.2208 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2749 -3.3922 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 19 1 0 0 0 0 2 37 1 0 0 0 0 3 19 2 0 0 0 0 4 7 1 0 0 0 0 4 13 2 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 0 0 0 0 6 14 1 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

4.2 InChI

InChI=1S/C14H17N3O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10/h5-7H,1-4H3,(H,18,19)(H,16,17,20)

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)