Vitas-M small molecule compound
ethyl 4-hydroxy-6-(3-methylphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091038
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1cccc(c1)C
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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 C15H17F3N2O3S MW 362.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17F3N2O3S/c1-3-23-12(21)10-11(9-6-4-5-8(2)7-9)19-13(24)20-14(10,22)15(16,17)18/h4-7,10-11,22H,3H2,1-2H3,(H2,19,20,24)InChIKey
NYBXAAGEGZOEGZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=CC=C2)C
ETHYL(4R5R6S)4HYDROXY6(3METHYLPHENYL)2THIOXO4(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDINE5CARBOXYLATE
ETHYL4HYDROXY6(3METHYLPHENYL)2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ethyl4hydroxy6(3methylphenyl)2thioxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC15H17F3N2O3Sc132312(21)1011(96458(2)79)1913(24)2014(1022)15(1617)18h47101122H3H212H3(H2192024)
MFCD02730861
ZINC000000951771
ZINC000011859283
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