Vitas-M small molecule compound

methyl 3-chloro-2-hydroxy-4-[(4-nitrophenyl)amino]-4-oxo-2-(trifluoromethyl)butanoate

Catalog ID
STL169313
SMILES COC(=O)C(C(F)(F)F)(C(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cl)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 C12H10ClF3N2O6 MW 370.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10ClF3N2O6/c1-24-10(20)11(21,12(14,15)16)8(13)9(19)17-6-2-4-7(5-3-6)18(22)23/h2-5,8,21H,1H3,(H,17,19)
InChIKey
WURLWQQUUAXUNI-UHFFFAOYSA-N
Synonyms
515850-30-3
515850303
COC(=O)C(C(C(=O)NC1=CC=C(C=C1)(N+)(=O)(O))Cl)(C(F)(F)F)O
COC(=O)C(C(F)(F)F)(C(C(=O)Nc1ccc(cc1)(N+)(=O)(O))Cl)O
InChI=1SC12H10ClF3N2O6c12410(20)11(2112(1415)16)8(13)9(19)176247(536)18(22)23h25821H1H3(H1719)
methyl3chloro2hydroxy4((4nitrophenyl)amino)4oxo2(trifluoromethyl)butanoate
METHYL3CHLORO2HYDROXY4(4NITROANILINO)4OXO2(TRIFLUOROMETHYL)BUTANOATE
MFCD02243638
ZINC000004652422
ZINC000004652426

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Available files

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