Vitas-M small molecule compound
(1R,2S,5R)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK767624
SMILES O=C1C[C@H](Sc2nc(cc(n2)c2ccccc2)C(F)(F)F)[C@@H]2O[C@H]1OC2
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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 C17H13F3N2O3S MW 382.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F3N2O3S/c18-17(19,20)14-6-10(9-4-2-1-3-5-9)21-16(22-14)26-13-7-11(23)15-24-8-12(13)25-15/h1-6,12-13,15H,7-8H2/t12-,13+,15-/m1/s1InChIKey
ZNCVJVSZYYDJDN-VNHYZAJKSA-NSynonyms
(1R2S5R)2((4phenyl6(trifluoromethyl)pyrimidin2yl)sulfanyl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1R2S5R)2(4phenyl6(trifluoromethyl)pyrimidin2yl)sulfanyl68dioxabicyclo(321)octan4one
(1S2S5S)2(4PHENYL6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYL68DIOXABICYCLO(321)OCTAN4ONE
C1C(C2COC(C1=O)O2)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4
InChI=1SC17H13F3N2O3Sc1817(1920)14610(9421359)2116(2214)2613711(23)1524812(13)2515h16121315H78H2t1213+15m1s1
MFCD13372135
O=C1C(C@H)(Sc2nc(cc(n2)c2ccccc2)C(F)(F)F)(C@@H)2O(C@H)1OC2
ZINC000006659500
ZINC06659500
ZINC6659500
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