Vitas-M small molecule compound
2-{3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1H-indol-1-yl}-N-(2-methyl-5-nitrophenyl)acetamide
Catalog ID
STK287308
SMILES N#C/C(=C\c1cn(c2c1cccc2)CC(=O)Nc1cc(ccc1C)[N+](=O)[O-])/c1nc2c([nH]1)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H20N6O3 MW 476.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N6O3/c1-17-10-11-20(33(35)36)13-24(17)29-26(34)16-32-15-19(21-6-2-5-9-25(21)32)12-18(14-28)27-30-22-7-3-4-8-23(22)31-27/h2-13,15H,16H2,1H3,(H,29,34)(H,30,31)/b18-12+InChIKey
MPKLUBCCGBUBQR-LDADJPATSA-NSynonyms
2(3((E)2(1Hbenzimidazol2yl)2cyanoethenyl)1Hindol1yl)N(2methyl5nitrophenyl)acetamide
2(3((E)2(1Hbenzimidazol2yl)2cyanoethenyl)indol1yl)N(2methyl5nitrophenyl)acetamide
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CN2C=C(C3=CC=CC=C32)C=C(C#N)C4=NC5=CC=CC=C5N4
InChI=1SC27H20N6O3c117101120(33(35)36)1324(17)2926(34)16321519(21625925(21)32)1218(1428)273022734823(22)3127h21315H16H21H3(H2934)(H3031)b1812+
MFCD07157180
N#CC(=Cc1cn(c2c1cccc2)CC(=O)Nc1cc(ccc1C)(N+)(=O)(O))c1nc2c((nH)1)cccc2
ZINC000009187432
ZINC09187432
ZINC9187432
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