Vitas-M small molecule compound
3-{[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one
Catalog ID
STK339668
SMILES O=C(N1CCCC1)CCSc1nc(cc(n1)C(F)(F)F)c1ccc2c(c1)OCO2
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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 C19H18F3N3O3S MW 425.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F3N3O3S/c20-19(21,22)16-10-13(12-3-4-14-15(9-12)28-11-27-14)23-18(24-16)29-8-5-17(26)25-6-1-2-7-25/h3-4,9-10H,1-2,5-8,11H2InChIKey
ISHJUYXPEIJAPT-UHFFFAOYSA-NSynonyms
510710-15-33((4(13benzodioxol5yl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)1(pyrrolidin1yl)propan1one
3(4(13benzodioxol5yl)6(trifluoromethyl)pyrimidin2yl)sulfanyl1pyrrolidin1ylpropan1one
3(4(2HBENZO(34D)13DIOXOLEN5YL)6(TRIFLUOROMETHYL)PYRIMIDIN2YLTHIO)1PYRROLIDINYLPROPAN1ONE
510710153
C1CCN(C1)C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4
InChI=1SC19H18F3N3O3Sc2019(2122)161013(12341415(912)28112714)2318(2416)298517(26)25612725h34910H125811H2
MFCD03044248
ZINC000000920023
ZINC00920023
ZINC920023
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