Vitas-M small molecule compound
3-{[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)propan-1-one
Catalog ID
STK339506
SMILES CN1CCN(CC1)C(=O)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 C20H21F3N4O3S MW 454.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F3N4O3S/c1-26-5-7-27(8-6-26)18(28)4-9-31-19-24-14(11-17(25-19)20(21,22)23)13-2-3-15-16(10-13)30-12-29-15/h2-3,10-11H,4-9,12H2,1H3InChIKey
WFRULRBNPKEIQF-UHFFFAOYSA-NSynonyms
510710-22-23((4(13benzodioxol5yl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)1(4methylpiperazin1yl)propan1one
3(4(13benzodioxol5yl)6(trifluoromethyl)pyrimidin2yl)sulfanyl1(4methylpiperazin1yl)propan1one
3(4(2HBENZO(34D)13DIOXOLEN5YL)6(TRIFLUOROMETHYL)PYRIMIDIN2YLTHIO)1(4METHYLPIPERAZINYL)PROPAN1ONE
510710222
CN1CCN(CC1)C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4
InChI=1SC20H21F3N4O3Sc1265727(8626)18(28)4931192414(1117(2519)20(2122)23)13231516(1013)30122915h231011H4912H21H3
MFCD03044255
ZINC000019894388
ZINC19894388
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