Vitas-M small molecule compound
(1R,2S,5R)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-ol (non-preferred name)
Catalog ID
STK678591
SMILES COc1ccc(cc1)c1nc(S[C@H]2CC(O)[C@H]3O[C@@H]2CO3)nc(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 C18H17F3N2O4S MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N2O4S/c1-25-10-4-2-9(3-5-10)11-6-15(18(19,20)21)23-17(22-11)28-14-7-12(24)16-26-8-13(14)27-16/h2-6,12-14,16,24H,7-8H2,1H3/t12?,13-,14+,16-/m1/s1InChIKey
VTGVURHSGJTLAM-NQKGRLOXSA-NSynonyms
(1R2S5R)2((4(4methoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)68dioxabicyclo(321)octan4ol(nonpreferredname)
(1R2S5R)2(4(4methoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfanyl68dioxabicyclo(321)octan4ol
COC1=CC=C(C=C1)C2=CC(=NC(=N2)SC3CC(C4OCC3O4)O)C(F)(F)F
COc1ccc(cc1)c1nc(S(C@H)2CC(O)(C@H)3O(C@@H)2CO3)nc(c1)C(F)(F)F
InChI=1SC18H17F3N2O4Sc12510429(3510)11615(18(1920)21)2317(2211)2814712(24)1626813(14)2716h2612141624H78H21H3t12?1314+16m1s1
MFCD18246873
ZINC000015240723
ZINC000015240726
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