Vitas-M small molecule compound
2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL170332
SMILES O=C1NC(Nc2c1c1CCCCc1s2)c1ccc(o1)c1cccc(c1)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 C21H17F3N2O2S MW 418.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N2O2S/c22-21(23,24)12-5-3-4-11(10-12)14-8-9-15(28-14)18-25-19(27)17-13-6-1-2-7-16(13)29-20(17)26-18/h3-5,8-10,18,26H,1-2,6-7H2,(H,25,27)InChIKey
XFJAHIVEQZANJT-UHFFFAOYSA-NSynonyms
2(5(3(trifluoromethyl)phenyl)furan2yl)235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
2(5(3(trifluoromethyl)phenyl)furan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)NC(NC3=O)C4=CC=C(O4)C5=CC(=CC=C5)C(F)(F)F
InChI=1SC21H17F3N2O2Sc2221(2324)1253411(1012)148915(2814)182519(27)1713612716(13)2920(17)2618h358101826H1267H2(H2527)
MFCD00608829
ZINC000002765512
ZINC000002765513
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