Vitas-M small molecule compound

(2E)-3-{2-[(4-chlorobenzyl)oxy]-4-(diethylamino)phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Catalog ID
STK674083
SMILES CCN(c1ccc(c(c1)OCc1ccc(cc1)Cl)/C=C(/c1nc2c([nH]1)ccc(c2)C)\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 C28H27ClN4O MW 471.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN4O/c1-4-33(5-2)24-12-9-21(27(16-24)34-18-20-7-10-23(29)11-8-20)15-22(17-30)28-31-25-13-6-19(3)14-26(25)32-28/h6-16H,4-5,18H2,1-3H3,(H,31,32)/b22-15+
InChIKey
IMHMYFDRVCRITL-PXLXIMEGSA-N
Synonyms

(2E)3(2((4chlorobenzyl)oxy)4(diethylamino)phenyl)2(5methyl1Hbenzimidazol2yl)prop2enenitrile
(2E)3(4(DIETHYLAMINO)2((4CHLOROPHENYL)METHOXY)PHENYL)2(5METHYLBENZIMIDAZOL2YL)PROP2ENENITRILE
(E)3(2((4CHLOROPHENYL)METHOXY)4(DIETHYLAMINO)PHENYL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
3(2((4CHLOROBENZYL)OXY)4(DIETHYLAMINO)PHENYL)2(5METHYL1HBENZIMIDAZOL2YL)ACRYLONITRILE
CCN(c1ccc(c(c1)OCc1ccc(cc1)Cl)C=C(c1nc2c((nH)1)ccc(c2)C)C#N)CC
CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)OCC4=CC=C(C=C4)Cl
InChI=1SC28H27ClN4Oc1433(52)2412921(27(1624)34182071023(29)11820)1522(1730)28312513619(3)1426(25)3228h616H4518H213H3(H3132)b2215+
MFCD01066287
ZINC000008407237
ZINC08407237
ZINC8407237

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Available files

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