Vitas-M small molecule compound
(2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enenitrile
Catalog ID
STK287170
SMILES COc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=C(/c1[nH]c2c(n1)cc(c(c2)C)C)\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 C23H18N4O4 MW 414.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O4/c1-13-8-19-20(9-14(13)2)26-23(25-19)15(12-24)10-17-5-7-22(31-17)18-6-4-16(30-3)11-21(18)27(28)29/h4-11H,1-3H3,(H,25,26)/b15-10+InChIKey
USTKOEUACDERIR-XNTDXEJSSA-NSynonyms
(2E)2(56dimethyl1Hbenzimidazol2yl)3(5(4methoxy2nitrophenyl)furan2yl)prop2enenitrile
(E)2(56DIMETHYL1HBENZIMIDAZOL2YL)3(5(4METHOXY2NITROPHENYL)FURAN2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)OC)(N+)(=O)(O))C#N
COc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C=C(c1(nH)c2c(n1)cc(c(c2)C)C)C#N
InChI=1SC23H18N4O4c11381920(914(13)2)2623(2519)15(1224)10175722(3117)186416(303)1121(18)27(28)29h411H13H3(H2526)b1510+
MFCD06632557
ZINC000004821252
ZINC04821252
ZINC4821252
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