Vitas-M small molecule compound
methyl 3-({2-[2-(4-chlorophenyl)ethyl]-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl}amino)-3-(3-fluorophenyl)propanoate
Catalog ID
STK030429
SMILES COC(=O)CC(c1cccc(c1)F)NC1N(CCc2ccc(cc2)Cl)C(=O)C2=C1CCCC2
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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 C26H28ClFN2O3 MW 470.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClFN2O3/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/h4-6,9-12,15,23,25,29H,2-3,7-8,13-14,16H2,1H3InChIKey
HFWNASKRDICMIO-UHFFFAOYSA-NSynonyms
COC(=O)CC(C1=CC(=CC=C1)F)NC2C3=C(CCCC3)C(=O)N2CCC4=CC=C(C=C4)Cl
COC(=O)CC(c1cccc(c1)F)NC1N(CCc2ccc(cc2)Cl)C(=O)C2=C1CCCC2
InChI=1SC26H28ClFN2O3c13324(31)1623(1854620(28)1518)292521723822(21)26(32)30(25)14131791119(27)121017h4691215232529H2378131416H21H3
methyl3((2(2(4chlorophenyl)ethyl)3oxo234567hexahydro1Hisoindol1yl)amino)3(3fluorophenyl)propanoate
methyl3((2(2(4chlorophenyl)ethyl)3oxo4567tetrahydro1Hisoindol1yl)amino)3(3fluorophenyl)propanoate
MFCD11850981
STK030429
ZINC000020058087
ZINC000020058090
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