Vitas-M small molecule compound
ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091027
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1ccc(c(c1)OCC)O
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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 C16H19F3N2O5S MW 408.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19F3N2O5S/c1-3-25-10-7-8(5-6-9(10)22)12-11(13(23)26-4-2)15(24,16(17,18)19)21-14(27)20-12/h5-7,11-12,22,24H,3-4H2,1-2H3,(H2,20,21,27)InChIKey
BXEOZHQTYFFOSS-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)OCC)O
ETHYL(4S5S6R)6(3ETHOXY4HYDROXYPHENYL)4HYDROXY2THIOXO4(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDINE5CARBOXYLATE
ETHYL6(3ETHOXY4HYDROXYPHENYL)4HYDROXY2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ETHYL6(3ETHOXY4HYDROXYPHENYL)4HYDROXY2THIOXO4(TRIFLUOROMETHYL)HEXAHYDRO5PYRIMIDINECARBOXYLATE
ethyl6(3ethoxy4hydroxyphenyl)4hydroxy2thioxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC16H19F3N2O5Sc13251078(569(10)22)1211(13(23)2642)15(2416(1718)19)2114(27)2012h5711122224H34H212H3(H2202127)
MFCD02730862
ZINC000013482808
ZINC000238882036
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