Vitas-M small molecule compound
ethyl 3,3,3-trifluoro-2-[(4-methylphenyl)amino]-N-{[3-(trifluoromethyl)phenyl]carbonyl}alaninate
Catalog ID
STK691102
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)c1cccc(c1)C(F)(F)F)Nc1ccc(cc1)C
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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 C20H18F6N2O3 MW 448.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F6N2O3/c1-3-31-17(30)18(20(24,25)26,27-15-9-7-12(2)8-10-15)28-16(29)13-5-4-6-14(11-13)19(21,22)23/h4-11,27H,3H2,1-2H3,(H,28,29)InChIKey
MSNIAZFBXUGTTK-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C)NC(=O)C2=CC(=CC=C2)C(F)(F)F
ethyl333trifluoro2((4methylphenyl)amino)N((3(trifluoromethyl)phenyl)carbonyl)alaninate
ethyl333trifluoro2(4methylanilino)2((3(trifluoromethyl)benzoyl)amino)propanoate
InChI=1SC20H18F6N2O3c133117(30)18(20(2425)2627159712(2)81015)2816(29)1354614(1113)19(2122)23h41127H3H212H3(H2829)
MFCD09064148
ZINC000012412273
ZINC000012412274
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