Vitas-M small molecule compound
ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-{[4-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)phenyl]amino}alaninate
Catalog ID
STK377911
SMILES CCOC(=O)C(C(F)(F)F)(Nc1ccc(cc1)C(C(F)(F)F)(C(=O)OC)O)NC(=O)OCC
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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 C18H20F6N2O7 MW 490.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20F6N2O7/c1-4-32-13(28)16(18(22,23)24,26-14(29)33-5-2)25-11-8-6-10(7-9-11)15(30,12(27)31-3)17(19,20)21/h6-9,25,30H,4-5H2,1-3H3,(H,26,29)InChIKey
YOVSDANCGBAGDF-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)NC(=O)OCC
ETHYL2((ETHOXYCARBONYL)AMINO)333TRIFLUORO2(4(222TRIFLUORO1HYDROXY1(METHOXYCARBONYL)ETHYL)ANILINO)PROPANOATE
ethylN(ethoxycarbonyl)333trifluoro2((4(111trifluoro2hydroxy3methoxy3oxopropan2yl)phenyl)amino)alaninate
InChI=1SC18H20F6N2O7c143213(28)16(18(2223)242614(29)3352)25118610(7911)15(3012(27)313)17(1920)21h692530H45H213H3(H2629)
METHYL2(4((1(ETHOXYCARBONYL)1(ETHOXYCARBONYLAMINO)222TRIFLUOROETHYL)AMINO)PHENYL)333TRIFLUORO2HYDROXYPROPANOATE
METHYL2(4((3ETHOXY2(ETHOXYCARBONYLAMINO)111TRIFLUORO3OXOPROPAN2YL)AMINO)PHENYL)333TRIFLUORO2HYDROXYPROPANOATE
MFCD00788925
ZINC000004047830
ZINC000004047833
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