Vitas-M small molecule compound
ethyl 6-(1,3-benzodioxol-5-yl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091035
SMILES CCOC(=O)C1C(NC(=S)NC1(O)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 C15H15F3N2O5S MW 392.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15F3N2O5S/c1-2-23-12(21)10-11(7-3-4-8-9(5-7)25-6-24-8)19-13(26)20-14(10,22)15(16,17)18/h3-5,10-11,22H,2,6H2,1H3,(H2,19,20,26)InChIKey
WRLCEQUZNVPEHY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC3=C(C=C2)OCO3
ETHYL6(13BENZODIOXOL5YL)4HYDROXY2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ETHYL6(13BENZODIOXOL5YL)4HYDROXY2THIOXO4(TRIFLUOROMETHYL)HEXAHYDRO5PYRIMIDINECARBOXYLATE
ethyl6(13benzodioxol5yl)4hydroxy2thioxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC15H15F3N2O5Sc122312(21)1011(73489(57)256248)1913(26)2014(1022)15(1617)18h35101122H26H21H3(H2192026)
MFCD02709131
ZINC000004269902
ZINC000011859287
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