Vitas-M small molecule compound
(2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enenitrile
Catalog ID
STK287169
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1)C(F)(F)F)/c1[nH]c2c(n1)cc(c(c2)C)C
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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 C23H16F3N3O MW 407.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16F3N3O/c1-13-8-19-20(9-14(13)2)29-22(28-19)16(12-27)11-18-6-7-21(30-18)15-4-3-5-17(10-15)23(24,25)26/h3-11H,1-2H3,(H,28,29)/b16-11+InChIKey
GDGBXWYZJUCBOR-LFIBNONCSA-NSynonyms
(2E)2(56dimethyl1Hbenzimidazol2yl)3(5(3(trifluoromethyl)phenyl)furan2yl)prop2enenitrile
(E)2(56DIMETHYL1HBENZIMIDAZOL2YL)3(5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)C#N
InChI=1SC23H16F3N3Oc11381920(914(13)2)2922(2819)16(1227)11186721(3018)1543517(1015)23(2425)26h311H12H3(H2829)b1611+
MFCD06629727
N#CC(=Cc1ccc(o1)c1cccc(c1)C(F)(F)F)c1(nH)c2c(n1)cc(c(c2)C)C
ZINC000004810305
ZINC04810305
ZINC4810305
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