Vitas-M small molecule compound
ethyl 4-hydroxy-2-thioxo-4-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091034
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1cc(OC)c(c(c1)OC)OC
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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 C17H21F3N2O6S MW 438.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21F3N2O6S/c1-5-28-14(23)11-12(21-15(29)22-16(11,24)17(18,19)20)8-6-9(25-2)13(27-4)10(7-8)26-3/h6-7,11-12,24H,5H2,1-4H3,(H2,21,22,29)InChIKey
OENWNEXPHLZYGC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=C(C(=C2)OC)OC)OC
ETHYL4HYDROXY2SULFANYLIDENE4(TRIFLUOROMETHYL)6(345TRIMETHOXYPHENYL)13DIAZINANE5CARBOXYLATE
ETHYL4HYDROXY2THIOXO4(TRIFLUOROMETHYL)6(345TRIMETHOXYPHENYL)HEXAHYDRO5PYRIMIDINECARBOXYLATE
ethyl4hydroxy2thioxo4(trifluoromethyl)6(345trimethoxyphenyl)hexahydropyrimidine5carboxylate
InChI=1SC17H21F3N2O6Sc152814(23)1112(2115(29)2216(1124)17(1819)20)869(252)13(274)10(78)263h67111224H5H214H3(H2212229)
MFCD02709126
ZINC000008741824
ZINC000013482802
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