Vitas-M small molecule compound
2-{[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK342016
SMILES COc1cccc(c1)c1nc(SC2CC(=O)C3OC2CO3)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 C18H15F3N2O4S MW 412.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15F3N2O4S/c1-25-10-4-2-3-9(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/h2-6,13-14,16H,7-8H2,1H3InChIKey
BOIQZGSNLVRFNN-UHFFFAOYSA-NSynonyms
1093647-20-11093647201
2((4(3methoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)68dioxabicyclo(321)octan4one(nonpreferredname)
2(4(3METHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYL68DIOXABICYCLO(321)OCTAN4ONE
COC1=CC=CC(=C1)C2=CC(=NC(=N2)SC3CC(=O)C4OCC3O4)C(F)(F)F
InChI=1SC18H15F3N2O4Sc125104239(510)11615(18(1920)21)2317(2211)2814712(24)1626813(14)2716h26131416H78H21H3
MFCD03034897
ZINC000102998765
ZINC000102998769
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