Vitas-M small molecule compound
ethyl 6-(2,5-dimethoxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091032
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1cc(OC)ccc1OC
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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/c1-4-26-13(22)11-12(9-7-8(24-2)5-6-10(9)25-3)20-14(27)21-15(11,23)16(17,18)19/h5-7,11-12,23H,4H2,1-3H3,(H2,20,21,27)InChIKey
IPARRUDXNQNTGD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=C(C=CC(=C2)OC)OC
ETHYL(4R5S6R)6(25DIMETHOXYPHENYL)4HYDROXY2THIOXO4(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDINE5CARBOXYLATE
ETHYL6(25DIMETHOXYPHENYL)4HYDROXY2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ethyl6(25dimethoxyphenyl)4hydroxy2thioxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC16H19F3N2O5Sc142613(22)1112(978(242)5610(9)253)2014(27)2115(1123)16(1718)19h57111223H4H213H3(H2202127)
MFCD02730858
ZINC000004269885
ZINC000011859274
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