Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STL418620
SMILES CCOc1cc(ccc1OCc1ccccc1F)/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 C25H20FN3O2 MW 413.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN3O2/c1-2-30-24-14-17(11-12-23(24)31-16-18-7-3-4-8-20(18)26)13-19(15-27)25-28-21-9-5-6-10-22(21)29-25/h3-14H,2,16H2,1H3,(H,28,29)/b19-13+InChIKey
TZYPAPZNBYXMRK-CPNJWEJPSA-NSynonyms
(2E)2(1H13BENZODIAZOL2YL)3(3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
(2E)2(1Hbenzimidazol2yl)3(3ethoxy4((2fluorobenzyl)oxy)phenyl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC=CC=C4F
CCOc1cc(ccc1OCc1ccccc1F)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC25H20FN3O2c1230241417(111223(24)311618734820(18)26)1319(1527)2528219561022(21)2925h314H216H21H3(H2829)b1913+
MFCD01827557
ZINC000005034964
ZINC05034964
ZINC5034964
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