Vitas-M small molecule compound
methyl N-{[2-(4-methoxybenzyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}-beta-alaninate
Catalog ID
STL314670
SMILES COC(=O)CCNC(=O)c1cn(Cc2ccc(cc2)OC)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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-28-16-9-7-15(8-10-16)13-24-14-19(21(26)23-12-11-20(25)29-2)17-5-3-4-6-18(17)22(24)27/h3-10,14H,11-13H2,1-2H3,(H,23,26)InChIKey
GEOAEHWMDUMKAF-UHFFFAOYSA-NSynonyms
1401587-00-51401587005
COC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC(=O)OC
InChI=1SC22H22N2O5c128169715(81016)13241419(21(26)23121120(25)292)17534618(17)22(24)27h31014H1113H212H3(H2326)
methyl3((2((4methoxyphenyl)methyl)1oxoisoquinoline4carbonyl)amino)propanoate
methyl3(2(4methoxybenzyl)1oxo12dihydroisoquinoline4carboxamido)propanoate
methylN((2(4methoxybenzyl)1oxo12dihydroisoquinolin4yl)carbonyl)betaalaninate
MFCD22582490
ZINC000079477599
ZINC79477599
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