Vitas-M small molecule compound

methyl 3-{[(2,6-difluorophenyl)carbonyl]amino}-4-(4-methylpiperidin-1-yl)benzoate

Catalog ID
STK737521
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1c(F)cccc1F)N1CCC(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 C21H22F2N2O3 MW 388.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F2N2O3/c1-13-8-10-25(11-9-13)18-7-6-14(21(27)28-2)12-17(18)24-20(26)19-15(22)4-3-5-16(19)23/h3-7,12-13H,8-11H2,1-2H3,(H,24,26)
InChIKey
JMISREMQNCRIFF-UHFFFAOYSA-N
Synonyms

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC=C3F)F
InChI=1SC21H22F2N2O3c11381025(11913)187614(21(27)282)1217(18)2420(26)1915(22)43516(19)23h371213H811H212H3(H2426)
methyl3(((26difluorophenyl)carbonyl)amino)4(4methylpiperidin1yl)benzoate
METHYL3((26DIFLUOROBENZOYL)AMINO)4(4METHYLPIPERIDIN1YL)BENZOATE
METHYL3((26DIFLUOROPHENYL)CARBONYLAMINO)4(4METHYLPIPERIDYL)BENZOATE
MFCD07022617
ZINC000004709131
ZINC04709131
ZINC4709131

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Available files

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