Vitas-M small molecule compound
ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091028
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1ccc(c(c1)O)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 C14H15F3N2O5S MW 380.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15F3N2O5S/c1-2-24-11(22)9-10(6-3-4-7(20)8(21)5-6)18-12(25)19-13(9,23)14(15,16)17/h3-5,9-10,20-21,23H,2H2,1H3,(H2,18,19,25)InChIKey
CMPFYCRKKNJMHH-UHFFFAOYSA-NSynonyms
6(34DIHYDROXYPHENYL)4HYDROXY2THIOXO4TRIFLUOROMETHYLHEXAHYDROPYRIMIDINE5CARBOXYLICACIDETHYLESTER
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=C(C=C2)O)O
ETHYL(4S5R6S)6(34DIHYDROXYPHENYL)4HYDROXY2THIOXO4(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDINE5CARBOXYLATE
ETHYL6(34DIHYDROXYPHENYL)4HYDROXY2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ETHYL6(34DIHYDROXYPHENYL)4HYDROXY2THIOXO4(TRIFLUOROMETHYL)13DIAZAPERHYDROINE5CARBOXYLATE
ethyl6(34dihydroxyphenyl)4hydroxy2thioxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC14H15F3N2O5Sc122411(22)910(6347(20)8(21)56)1812(25)1913(923)14(1516)17h35910202123H2H21H3(H2181925)
MFCD02730863
ZINC000008686536
ZINC000013471731
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