Vitas-M small molecule compound
methyl 3-{3-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK294114
SMILES COC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C(\c1nc2c([nH]1)cccc2)/C#N
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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 C24H20N4O2 MW 396.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O2/c1-15-11-18(12-19(14-25)23-26-21-9-4-5-10-22(21)27-23)16(2)28(15)20-8-6-7-17(13-20)24(29)30-3/h4-13H,1-3H3,(H,26,27)/b19-12-InChIKey
QPENLBDHHGGQSM-UNOMPAQXSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C(C#N)C3=NC4=CC=CC=C4N3
COC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC24H20N4O2c1151118(1219(1425)2326219451022(21)2723)16(2)28(15)2086717(1320)24(29)303h413H13H3(H2627)b1912
methyl3(3((Z)2(1Hbenzimidazol2yl)2cyanoethenyl)25dimethyl1Hpyrrol1yl)benzoate
methyl3(3((Z)2(1Hbenzimidazol2yl)2cyanoethenyl)25dimethylpyrrol1yl)benzoate
MFCD09667348
ZINC000014608547
ZINC14608547
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