Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)prop-2-enenitrile
Catalog ID
STK735484
SMILES COc1cc(ccc1OCc1cccc(c1)C(F)(F)F)/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 C25H18F3N3O2 MW 449.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18F3N3O2/c1-32-23-13-16(11-18(14-29)24-30-20-7-2-3-8-21(20)31-24)9-10-22(23)33-15-17-5-4-6-19(12-17)25(26,27)28/h2-13H,15H2,1H3,(H,30,31)/b18-11+InChIKey
OKUUEOCCGDFCNP-WOJGMQOQSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(3methoxy4((3(trifluoromethyl)benzyl)oxy)phenyl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(3METHOXY4((3(TRIFLUOROMETHYL)PHENYL)METHOXY)PHENYL)PROP2ENENITRILE
COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC(=CC=C4)C(F)(F)F
COc1cc(ccc1OCc1cccc(c1)C(F)(F)F)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC25H18F3N3O2c132231316(1118(1429)243020723821(20)3124)91022(23)33151754619(1217)25(2627)28h213H15H21H3(H3031)b1811+
MFCD03957933
ZINC000008590709
ZINC08590709
ZINC8590709
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