Vitas-M small molecule compound
(2Z)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STL431657
SMILES N#C/C(=C/c1cc(OC)c(cc1[N+](=O)[O-])OC)/c1nc2c([nH]1)ccc(c2)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 C19H16N4O4 MW 364.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O4/c1-11-4-5-14-15(6-11)22-19(21-14)13(10-20)7-12-8-17(26-2)18(27-3)9-16(12)23(24)25/h4-9H,1-3H3,(H,21,22)/b13-7-InChIKey
MJQDYNUMIKBFJM-QPEQYQDCSA-NSynonyms
(2Z)3(45dimethoxy2nitrophenyl)2(5methyl1Hbenzimidazol2yl)prop2enenitrile
(Z)3(45dimethoxy2nitrophenyl)2(6methyl1Hbenzimidazol2yl)prop2enenitrile
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C#N
InChI=1SC19H16N4O4c111451415(611)2219(2114)13(1020)712817(262)18(273)916(12)23(24)25h49H13H3(H2122)b137
MFCD30711059
N#CC(=Cc1cc(OC)c(cc1(N+)(=O)(O))OC)c1nc2c((nH)1)ccc(c2)C
ZINC000033467177
ZINC33467177
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