Vitas-M small molecule compound

methyl 3,3,3-trifluoro-2-[(4-methylphenyl)amino]-N-(4-methylpyridin-2-yl)alaninate

Catalog ID
STK691132
SMILES COC(=O)C(C(F)(F)F)(Nc1nccc(c1)C)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 C17H18F3N3O2 MW 353.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18F3N3O2/c1-11-4-6-13(7-5-11)22-16(15(24)25-3,17(18,19)20)23-14-10-12(2)8-9-21-14/h4-10,22H,1-3H3,(H,21,23)
InChIKey
UJZLPCHKWYAIRH-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)NC(C(=O)OC)(C(F)(F)F)NC2=NC=CC(=C2)C
InChI=1SC17H18F3N3O2c1114613(7511)2216(15(24)25317(1819)20)23141012(2)892114h41022H13H3(H2123)
methyl333trifluoro2((4methylphenyl)amino)N(4methylpyridin2yl)alaninate
methyl333trifluoro2(4methylanilino)2((4methylpyridin2yl)amino)propanoate
MFCD09064158
ZINC000012461649
ZINC000012461651

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Available files

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