Vitas-M small molecule compound
ethyl 4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091033
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1cc(OC)c(c(c1)OC)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 C16H19F3N2O6S MW 424.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19F3N2O6S/c1-4-27-13(23)10-11(20-14(28)21-15(10,24)16(17,18)19)7-5-8(25-2)12(22)9(6-7)26-3/h5-6,10-11,22,24H,4H2,1-3H3,(H2,20,21,28)InChIKey
VGRRTQSRLPQMAO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=C(C(=C2)OC)O)OC
ETHYL4HYDROXY6(4HYDROXY35DIMETHOXYPHENYL)2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ethyl4hydroxy6(4hydroxy35dimethoxyphenyl)2thioxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC16H19F3N2O6Sc142713(23)1011(2014(28)2115(1024)16(1718)19)758(252)12(22)9(67)263h5610112224H4H213H3(H2202128)
MFCD02328039
ZINC000008683251
ZINC000013496287
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