Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{3-bromo-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STK285285
SMILES CCOc1cc(cc(c1OCc1ccccc1F)Br)/C=C(/c1nc2c([nH]1)cccc2)\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 C25H19BrFN3O2 MW 492.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrFN3O2/c1-2-31-23-13-16(11-18(14-28)25-29-21-9-5-6-10-22(21)30-25)12-19(26)24(23)32-15-17-7-3-4-8-20(17)27/h3-13H,2,15H2,1H3,(H,29,30)/b18-11+InChIKey
OUBLPZCELREUHR-WOJGMQOQSA-NSynonyms
(2E)2(1HBENZIMIDAZOL2YL)3(3BROMO5ETHOXY4((2FLUOROBENZYL)OXY)PHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(3BROMO5ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCC4=CC=CC=C4F
CCOc1cc(cc(c1OCc1ccccc1F)Br)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC25H19BrFN3O2c1231231316(1118(1428)2529219561022(21)3025)1219(26)24(23)321517734820(17)27h313H215H21H3(H2930)b1811+
MFCD06150484
ZINC000009187256
ZINC09187256
ZINC9187256
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