Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK341781
SMILES O=C1CC(Sc2nc(cc(n2)c2ccc(cc2)Cl)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 C17H12ClF3N2O3S MW 416.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClF3N2O3S/c18-9-3-1-8(2-4-9)10-5-14(17(19,20)21)23-16(22-10)27-13-6-11(24)15-25-7-12(13)26-15/h1-5,12-13,15H,6-7H2InChIKey
GECMXBUUGKBKNQ-UHFFFAOYSA-NSynonyms
1093647-14-31093647143
2((4(4chlorophenyl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)68dioxabicyclo(321)octan4one(nonpreferredname)
2(4(4CHLOROPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYL68DIOXABICYCLO(321)OCTAN4ONE
C1C(C2COC(C1=O)O2)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=C(C=C4)Cl
InChI=1SC17H12ClF3N2O3Sc189318(249)10514(17(1920)21)2316(2210)2713611(24)1525712(13)2615h15121315H67H2
MFCD03034569
ZINC000102998415
ZINC000102998418
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