Vitas-M small molecule compound
(2Z)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enenitrile
Catalog ID
STK287207
SMILES COc1ccc(cc1)n1c(C)cc(c1C)/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 C25H24N4O MW 396.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O/c1-15-10-23-24(11-16(15)2)28-25(27-23)20(14-26)13-19-12-17(3)29(18(19)4)21-6-8-22(30-5)9-7-21/h6-13H,1-5H3,(H,27,28)/b20-13-InChIKey
IXORQFLNMSQHBQ-MOSHPQCFSA-NSynonyms
(2Z)2(56dimethyl1Hbenzimidazol2yl)3(1(4methoxyphenyl)25dimethyl1Hpyrrol3yl)prop2enenitrile
(Z)2(56DIMETHYL1HBENZIMIDAZOL2YL)3(1(4METHOXYPHENYL)25DIMETHYLPYRROL3YL)PROP2ENENITRILE
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)OC)C)C#N
COc1ccc(cc1)n1c(C)cc(c1C)C=C(c1(nH)c2c(n1)cc(c(c2)C)C)C#N
InChI=1SC25H24N4Oc115102324(1116(15)2)2825(2723)20(1426)13191217(3)29(18(19)4)216822(305)9721h613H15H3(H2728)b2013
MFCD06630290
ZINC000004810853
ZINC04810853
ZINC4810853
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