Vitas-M small molecule compound
2-{[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK341997
SMILES O=C1CC(Sc2nc(cc(n2)c2ccc(cc2)C)C(F)(F)F)C2OC1OC2
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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 C18H15F3N2O3S MW 396.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15F3N2O3S/c1-9-2-4-10(5-3-9)11-6-15(18(19,20)21)23-17(22-11)27-14-7-12(24)16-25-8-13(14)26-16/h2-6,13-14,16H,7-8H2,1H3InChIKey
VHSVBFVUAMIUAE-UHFFFAOYSA-NSynonyms
1093647-19-8(1S2S5S)2((4(4METHYLPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYL)68DIOXABICYCLO(321)OCTAN4ONE(NONPREFERREDNAME)
1093647198
2((4(4methylphenyl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)68dioxabicyclo(321)octan4one(nonpreferredname)
2(4(4METHYLPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYL68DIOXABICYCLO(321)OCTAN4ONE
CC1=CC=C(C=C1)C2=CC(=NC(=N2)SC3CC(=O)C4OCC3O4)C(F)(F)F
InChI=1SC18H15F3N2O3Sc192410(539)11615(18(1920)21)2317(2211)2714712(24)1625813(14)2616h26131416H78H21H3
MFCD03034895
ZINC000102998747
ZINC000102998750
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