Vitas-M small molecule compound
methyl 2-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK537756
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1sc(c(c1C(=O)OC)CC)C)OCC(F)(F)F
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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 C17H20F6N2O6S MW 494.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20F6N2O6S/c1-5-9-8(3)32-11(10(9)12(26)29-4)24-14(28)25-16(17(21,22)23,13(27)30-6-2)31-7-15(18,19)20/h5-7H2,1-4H3,(H2,24,25,28)InChIKey
UURDDNZPFZVJPG-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=O)NC(C(=O)OCC)(C(F)(F)F)OCC(F)(F)F)C
InChI=1SC17H20F6N2O6Sc1598(3)3211(10(9)12(26)294)2414(28)2516(17(2122)2313(27)3062)31715(1819)20h57H214H3(H2242528)
METHYL2(((1(ETHOXYCARBONYL)222TRIFLUORO1(222TRIFLUOROETHOXY)ETHYL)CARBAMOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((3ethoxy111trifluoro3oxo2(222trifluoroethoxy)propan2yl)carbamoyl)amino)4ethyl5methylthiophene3carboxylate
METHYL2((3ETHOXY111TRIFLUORO3OXO2(222TRIFLUOROETHOXY)PROPAN2YL)CARBAMOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2(3(3ethoxy111trifluoro3oxo2(222trifluoroethoxy)propan2yl)ureido)4ethyl5methylthiophene3carboxylate
MFCD02647840
ZINC000009309929
ZINC000013799273
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