Vitas-M small molecule compound
ethyl 3,3,3-trifluoro-2-hydroxy-N-[(pentafluorophenyl)carbonyl]alaninate
Catalog ID
STK377954
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)c1c(F)c(F)c(c(c1F)F)F)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 C12H7F8NO4 MW 381.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7F8NO4/c1-2-25-10(23)11(24,12(18,19)20)21-9(22)3-4(13)6(15)8(17)7(16)5(3)14/h24H,2H2,1H3,(H,21,22)InChIKey
KRNDFCVVEHTFKW-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)O
ethyl333trifluoro2hydroxy2((23456pentafluorobenzoyl)amino)propanoate
ethyl333trifluoro2hydroxyN((pentafluorophenyl)carbonyl)alaninate
InChI=1SC12H7F8NO4c122510(23)11(2412(1819)20)219(22)34(13)6(15)8(17)7(16)5(3)14h24H2H21H3(H2122)
MFCD01655565
ZINC000102069460
ZINC000102069464
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