Vitas-M small molecule compound

ethyl N-[(2-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(4-methoxyphenyl)amino]alaninate

Catalog ID
STK689999
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC

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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 C19H18ClF3N2O4 MW 430.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClF3N2O4/c1-3-29-17(27)18(19(21,22)23,24-12-8-10-13(28-2)11-9-12)25-16(26)14-6-4-5-7-15(14)20/h4-11,24H,3H2,1-2H3,(H,25,26)
InChIKey
LQTHTBHKZXSOJU-UHFFFAOYSA-N
Synonyms

CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2Cl
ETHYL2((2CHLOROBENZOYL)AMINO)333TRIFLUORO2(4METHOXYANILINO)PROPANOATE
ethylN((2chlorophenyl)carbonyl)333trifluoro2((4methoxyphenyl)amino)alaninate
InChI=1SC19H18ClF3N2O4c132917(27)18(19(2122)23241281013(282)11912)2516(26)14645715(14)20h41124H3H212H3(H2526)
MFCD00789097
ZINC000003103399
ZINC000003103400

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.