Vitas-M small molecule compound

methyl 3-(3-fluorophenyl)-3-{[3-oxo-2-(1-phenylethyl)-2,3-dihydro-1H-isoindol-1-yl]amino}propanoate

Catalog ID
STK109374
SMILES COC(=O)CC(c1cccc(c1)F)NC1c2ccccc2C(=O)N1C(c1ccccc1)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 C26H25FN2O3 MW 432.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN2O3/c1-17(18-9-4-3-5-10-18)29-25(21-13-6-7-14-22(21)26(29)31)28-23(16-24(30)32-2)19-11-8-12-20(27)15-19/h3-15,17,23,25,28H,16H2,1-2H3
InChIKey
NXBINCCJBLFLIN-UHFFFAOYSA-N
Synonyms

CC(C1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)NC(CC(=O)OC)C4=CC(=CC=C4)F
InChI=1SC26H25FN2O3c117(1894351018)2925(2113671422(21)26(29)31)2823(1624(30)322)191181220(27)1519h31517232528H16H212H3
methyl3(3fluorophenyl)3((3oxo2(1phenylethyl)1Hisoindol1yl)amino)propanoate
METHYL3(3FLUOROPHENYL)3((3OXO2(1PHENYLETHYL)23DIHYDRO1HISOINDOL1YL)AMINO)PROPANOATE
MFCD11851174
ZINC000019808927
ZINC000036154242

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Available files

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