Vitas-M small molecule compound

3-(3,5-dimethylbenzyl)-4-oxo-4-{[4-(trifluoromethoxy)phenyl]amino}butanoic acid

Catalog ID
STK683912
SMILES OC(=O)CC(C(=O)Nc1ccc(cc1)OC(F)(F)F)Cc1cc(C)cc(c1)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 C20H20F3NO4 MW 395.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F3NO4/c1-12-7-13(2)9-14(8-12)10-15(11-18(25)26)19(27)24-16-3-5-17(6-4-16)28-20(21,22)23/h3-9,15H,10-11H2,1-2H3,(H,24,27)(H,25,26)
InChIKey
XVKSHTGWQJKWHU-UHFFFAOYSA-N
Synonyms
(3R)3(35DIMETHYLBENZYL)4OXO4((4(TRIFLUOROMETHOXY)PHENYL)AMINO)BUTANOICACID
(3S)3(35DIMETHYLBENZYL)4OXO4((4(TRIFLUOROMETHOXY)PHENYL)AMINO)BUTANOICACID
3((35DIMETHYLPHENYL)METHYL)4OXO4(4(TRIFLUOROMETHOXY)ANILINO)BUTANOICACID
3(35dimethylbenzyl)4oxo4((4(trifluoromethoxy)phenyl)amino)butanoicacid
CC1=CC(=CC(=C1)CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C
Registry IDs
MFCD05259076
ZINC000004689641
ZINC000004689643

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Available files

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