Vitas-M small molecule compound
(2E)-3-[4-(benzyloxy)-5-methoxy-2-nitrophenyl]-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK287206
SMILES COc1cc(/C=C(/c2[nH]c3c(n2)cc(c(c3)C)C)\C#N)c(cc1OCc1ccccc1)[N+](=O)[O-]
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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 C26H22N4O4 MW 454.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O4/c1-16-9-21-22(10-17(16)2)29-26(28-21)20(14-27)11-19-12-24(33-3)25(13-23(19)30(31)32)34-15-18-7-5-4-6-8-18/h4-13H,15H2,1-3H3,(H,28,29)/b20-11+InChIKey
KPAZQZRHTDKFLX-RGVLZGJSSA-NSynonyms
(2E)3(4(benzyloxy)5methoxy2nitrophenyl)2(56dimethyl1Hbenzimidazol2yl)prop2enenitrile
(E)2(56DIMETHYL1HBENZIMIDAZOL2YL)3(5METHOXY2NITRO4PHENYLMETHOXYPHENYL)PROP2ENENITRILE
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3(N+)(=O)(O))OCC4=CC=CC=C4)OC)C#N
COc1cc(C=C(c2(nH)c3c(n2)cc(c(c3)C)C)C#N)c(cc1OCc1ccccc1)(N+)(=O)(O)
InChI=1SC26H22N4O4c11692122(1017(16)2)2926(2821)20(1427)11191224(333)25(1323(19)30(31)32)3415187546818h413H15H213H3(H2829)b2011+
MFCD06631024
ZINC000009235533
ZINC09235533
ZINC9235533
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