Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{2-[(4-chlorobenzyl)oxy]-4-(diethylamino)phenyl}prop-2-enenitrile
Catalog ID
STK756460
SMILES CCN(c1ccc(c(c1)OCc1ccc(cc1)Cl)/C=C(/c1nc2c([nH]1)cccc2)\C#N)CC
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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 C27H25ClN4O MW 456.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN4O/c1-3-32(4-2)23-14-11-20(26(16-23)33-18-19-9-12-22(28)13-10-19)15-21(17-29)27-30-24-7-5-6-8-25(24)31-27/h5-16H,3-4,18H2,1-2H3,(H,30,31)/b21-15+InChIKey
GXXORQFWZNYHII-RCCKNPSSSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(2((4chlorobenzyl)oxy)4(diethylamino)phenyl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(2((4CHLOROPHENYL)METHOXY)4(DIETHYLAMINO)PHENYL)PROP2ENENITRILE
2(1HBENZIMIDAZOL2YL)3(2((4CHLOROBENZYL)OXY)4(DIETHYLAMINO)PHENYL)ACRYLONITRILE
CCN(c1ccc(c(c1)OCc1ccc(cc1)Cl)C=C(c1nc2c((nH)1)cccc2)C#N)CC
CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC=C(C=C4)Cl
InChI=1SC27H25ClN4Oc1332(42)23141120(26(1623)33181991222(28)131019)1521(1729)273024756825(24)3127h516H3418H212H3(H3031)b2115+
MFCD01066277
ZINC000008439238
ZINC08439238
ZINC8439238
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