Vitas-M small molecule compound
2-{[1-cyclopropyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Catalog ID
STK737226
SMILES O=C(N1CCc2c(C1)cccc2)CSc1nc2c(n1C1CC1)ccc(c2)C(F)(F)F
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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 C22H20F3N3OS MW 431.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N3OS/c23-22(24,25)16-5-8-19-18(11-16)26-21(28(19)17-6-7-17)30-13-20(29)27-10-9-14-3-1-2-4-15(14)12-27/h1-5,8,11,17H,6-7,9-10,12-13H2InChIKey
WVIQNQPHOBYRBC-UHFFFAOYSA-NSynonyms
2((1cyclopropyl5(trifluoromethyl)1Hbenzimidazol2yl)sulfanyl)1(34dihydroisoquinolin2(1H)yl)ethanone
2(1CYCLOPROPYL5(TRIFLUOROMETHYL)BENZIMIDAZOL2YL)SULFANYL1(34DIHYDRO1HISOQUINOLIN2YL)ETHANONE
C1CC1N2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCC(=O)N4CCC5=CC=CC=C5C4
InChI=1SC22H20F3N3OSc2322(2425)16581918(1116)2621(28(19)176717)301320(29)2710914312415(14)1227h1581117H679101213H2
MFCD06013289
ZINC000001431660
ZINC01431660
ZINC1431660
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