Vitas-M small molecule compound

methyl 3-({2-[2-(4-chlorophenyl)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)-3-(3-fluorophenyl)propanoate

Catalog ID
STK101001
SMILES COC(=O)CC(c1cccc(c1)F)NC1N(CCc2ccc(cc2)Cl)C(=O)c2c1cccc2

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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 C26H24ClFN2O3 MW 466.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClFN2O3/c1-33-24(31)16-23(18-5-4-6-20(28)15-18)29-25-21-7-2-3-8-22(21)26(32)30(25)14-13-17-9-11-19(27)12-10-17/h2-12,15,23,25,29H,13-14,16H2,1H3
InChIKey
KTRKOSWQQIFAEN-UHFFFAOYSA-N
Synonyms

COC(=O)CC(C1=CC(=CC=C1)F)NC2C3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)Cl
InChI=1SC26H24ClFN2O3c13324(31)1623(1854620(28)1518)292521723822(21)26(32)30(25)14131791119(27)121017h21215232529H131416H21H3
methyl3((2(2(4chlorophenyl)ethyl)3oxo1Hisoindol1yl)amino)3(3fluorophenyl)propanoate
METHYL3((2(2(4CHLOROPHENYL)ETHYL)3OXO23DIHYDRO1HISOINDOL1YL)AMINO)3(3FLUOROPHENYL)PROPANOATE
MFCD11851144
ZINC000020169513
ZINC000020169518

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Available files

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