Vitas-M small molecule compound
(2E)-3-{2-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK287186
SMILES COc1cccc(c1OCc1ccc(cc1)Cl)/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 C26H22ClN3O2 MW 443.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O2/c1-16-11-22-23(12-17(16)2)30-26(29-22)20(14-28)13-19-5-4-6-24(31-3)25(19)32-15-18-7-9-21(27)10-8-18/h4-13H,15H2,1-3H3,(H,29,30)/b20-13+InChIKey
MEGHIHRTJFFQRZ-DEDYPNTBSA-NSynonyms
(2E)3(2((4chlorobenzyl)oxy)3methoxyphenyl)2(56dimethyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(2((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)2(56DIMETHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=C(C(=CC=C3)OC)OCC4=CC=C(C=C4)Cl)C#N
COc1cccc(c1OCc1ccc(cc1)Cl)C=C(c1(nH)c2c(n1)cc(c(c2)C)C)C#N
InChI=1SC26H22ClN3O2c116112223(1217(16)2)3026(2922)20(1428)131954624(313)25(19)3215187921(27)10818h413H15H213H3(H2930)b2013+
MFCD06631217
ZINC000013943476
ZINC13943476
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