Vitas-M small molecule compound
(2E)-3-(2,4-dimethoxy-5-nitrophenyl)-2-(5-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK201859
SMILES COc1ccc2c(c1)nc([nH]2)/C(=C/c1cc([N+](=O)[O-])c(cc1OC)OC)/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 C19H16N4O5 MW 380.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O5/c1-26-13-4-5-14-15(8-13)22-19(21-14)12(10-20)6-11-7-16(23(24)25)18(28-3)9-17(11)27-2/h4-9H,1-3H3,(H,21,22)/b12-6+InChIKey
LKVWUZBQEUDAPN-WUXMJOGZSA-NSynonyms
(2E)3(24DIMETHOXY5NITROPHENYL)2(5METHOXY1HBENZIMIDAZOL2YL)PROP2ENENITRILE
(E)3(24DIMETHOXY5NITROPHENYL)2(6METHOXY1HBENZIMIDAZOL2YL)PROP2ENENITRILE
COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3OC)OC)(N+)(=O)(O))C#N
COc1ccc2c(c1)nc((nH)2)C(=Cc1cc((N+)(=O)(O))c(cc1OC)OC)C#N
InChI=1SC19H16N4O5c12613451415(813)2219(2114)12(1020)611716(23(24)25)18(283)917(11)272h49H13H3(H2122)b126+
MFCD06666676
ZINC000004739912
ZINC04739912
ZINC4739912
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