Vitas-M small molecule compound
(2E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
Catalog ID
STL431162
SMILES N#C/C(=C\c1cccc(c1)[N+](=O)[O-])/c1nc2c([nH]1)cc(cc2)C
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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 C17H12N4O2 MW 304.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O2/c1-11-5-6-15-16(7-11)20-17(19-15)13(10-18)8-12-3-2-4-14(9-12)21(22)23/h2-9H,1H3,(H,19,20)/b13-8+InChIKey
IGRDEZDDSQRJEL-MDWZMJQESA-NSynonyms
(2E)2(5METHYLBENZIMIDAZOL2YL)3(3NITROPHENYL)PROP2ENENITRILE
(2E)2(6methyl1Hbenzimidazol2yl)3(3nitrophenyl)prop2enenitrile
(E)2(6METHYL1HBENZIMIDAZOL2YL)3(3NITROPHENYL)PROP2ENENITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=CC=C3)(N+)(=O)(O))C#N
InChI=1SC17H12N4O2c111561516(711)2017(1915)13(1018)81232414(912)21(22)23h29H1H3(H1920)b138+
MFCD00393694
N#CC(=Cc1cccc(c1)(N+)(=O)(O))c1nc2c((nH)1)cc(cc2)C
ZINC000005387317
ZINC05387317
ZINC5387317
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