Vitas-M small molecule compound
2-{[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK342243
SMILES O=C1CC(Sc2nc(cc(n2)c2ccc(c(c2)Cl)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 C17H11Cl2F3N2O3S MW 451.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11Cl2F3N2O3S/c18-8-2-1-7(3-9(8)19)10-4-14(17(20,21)22)24-16(23-10)28-13-5-11(25)15-26-6-12(13)27-15/h1-4,12-13,15H,5-6H2InChIKey
LBHWBALXVNKFPV-UHFFFAOYSA-NSynonyms
1093647-10-91093647109
2((4(34dichlorophenyl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)68dioxabicyclo(321)octan4one(nonpreferredname)
2(4(34DICHLOROPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYL68DIOXABICYCLO(321)OCTAN4ONE
4(4(34DICHLOROPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YLTHIO)78DIOXABICYCLO(321)OCTAN2ONE
C1C(C2COC(C1=O)O2)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC(=C(C=C4)Cl)Cl
InChI=1SC17H11Cl2F3N2O3Sc188217(39(8)19)10414(17(2021)22)2416(2310)2813511(25)1526612(13)2715h14121315H56H2
MFCD03034570
ZINC000102998422
ZINC000102998424
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