Vitas-M small molecule compound
ethyl N-{[4-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]carbamoyl}-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate
Catalog ID
STL057780
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(=O)OCC)O)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 C20H21F9N2O7 MW 572.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F9N2O7/c1-4-36-13(32)17(35,19(24,25)26)11-6-7-12(10(3)8-11)30-15(34)31-18(20(27,28)29,14(33)37-5-2)38-9-16(21,22)23/h6-8,35H,4-5,9H2,1-3H3,(H2,30,31,34)InChIKey
IJSUWNFKRVZSTL-UHFFFAOYSA-NSynonyms
(2R)ethyl2(3(4(3ethoxy111trifluoro2hydroxy3oxopropan2yl)2methylphenyl)ureido)333trifluoro2(222trifluoroethoxy)propanoate
CCOC(=O)C(C1=CC(=C(C=C1)NC(=O)NC(C(=O)OCC)(C(F)(F)F)OCC(F)(F)F)C)(C(F)(F)F)O
ETHYL2(4((3ETHOXY111TRIFLUORO3OXO2(222TRIFLUOROETHOXY)PROPAN2YL)CARBAMOYLAMINO)3METHYLPHENYL)333TRIFLUORO2HYDROXYPROPANOATE
ethylN((4(3ethoxy111trifluoro2hydroxy3oxopropan2yl)2methylphenyl)carbamoyl)333trifluoro2(222trifluoroethoxy)alaninate
InChI=1SC20H21F9N2O7c143613(32)17(3519(2425)26)116712(10(3)811)3015(34)3118(20(2728)2914(33)3752)38916(2122)23h6835H459H213H3(H2303134)
MFCD01875971
ZINC000103129894
ZINC000103129902
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