Vitas-M small molecule compound
2-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK341779
SMILES COc1ccccc1c1nc(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/c1-25-12-5-3-2-4-9(12)10-6-15(18(19,20)21)23-17(22-10)28-14-7-11(24)16-26-8-13(14)27-16/h2-6,13-14,16H,7-8H2,1H3InChIKey
PZMORQKSAZIXSI-UHFFFAOYSA-NSynonyms
1093647-88-11093647881
2((4(2methoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)68dioxabicyclo(321)octan4one(nonpreferredname)
2(4(2METHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYL68DIOXABICYCLO(321)OCTAN4ONE
COC1=CC=CC=C1C2=CC(=NC(=N2)SC3CC(=O)C4OCC3O4)C(F)(F)F
InChI=1SC18H15F3N2O4Sc1251253249(12)10615(18(1920)21)2317(2210)2814711(24)1626813(14)2716h26131416H78H21H3
MFCD03308462
ZINC000103000389
ZINC000103000391
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