Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethanone
Catalog ID
STK922457
SMILES O=C(c1ccc2c(c1)OCO2)CSc1nc(cc(n1)C(F)(F)F)c1ccccc1
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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 C20H13F3N2O3S MW 418.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13F3N2O3S/c21-20(22,23)18-9-14(12-4-2-1-3-5-12)24-19(25-18)29-10-15(26)13-6-7-16-17(8-13)28-11-27-16/h1-9H,10-11H2InChIKey
WYMXTVHABRLACX-UHFFFAOYSA-NSynonyms
941252-51-31(13benzodioxol5yl)2((4phenyl6(trifluoromethyl)pyrimidin2yl)sulfanyl)ethanone
1(13benzodioxol5yl)2(4phenyl6(trifluoromethyl)pyrimidin2yl)sulfanylethanone
1(2HBENZO(34D)13DIOXOLEN5YL)2(4PHENYL6(TRIFLUOROMETHYL)PYRIMIDIN2YLTHIO)ETHAN1ONE
1(BENZO(D)(13)DIOXOL5YL)2((4PHENYL6(TRIFLUOROMETHYL)PYRIMIDIN2YL)THIO)ETHANONE
941252513
C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4
InChI=1SC20H13F3N2O3Sc2120(2223)18914(124213512)2419(2518)291015(26)13671617(813)28112716h19H1011H2
MFCD09761145
ZINC000012249806
ZINC12249806
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