Vitas-M small molecule compound
methyl 2-[({[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK343937
SMILES COC(=O)c1ccccc1NC(=O)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 C21H16F3N3O3S MW 447.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3N3O3S/c1-30-19(29)14-9-5-6-10-15(14)25-18(28)12-31-20-26-16(13-7-3-2-4-8-13)11-17(27-20)21(22,23)24/h2-11H,12H2,1H3,(H,25,28)InChIKey
TYXGMHHKTSJPAN-UHFFFAOYSA-NSynonyms
333425-57-3333425573
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3
InChI=1SC21H16F3N3O3Sc13019(29)149561015(14)2518(28)1231202616(137324813)1117(2720)21(2223)24h211H12H21H3(H2528)
METHYL2((((4PHENYL6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2((2(4phenyl6(trifluoromethyl)pyrimidin2yl)sulfanylacetyl)amino)benzoate
METHYL2(2(4PHENYL6(TRIFLUOROMETHYL)PYRIMIDIN2YLTHIO)ACETYLAMINO)BENZOATE
MFCD02734855
ZINC000000883808
ZINC00883808
ZINC883808
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