Vitas-M small molecule compound

methyl N-{[2-(2,5-dimethoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}-beta-alaninate

Catalog ID
STL311126
SMILES COC(=O)CCNC(=O)c1cn(c2cc(OC)ccc2OC)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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-28-14-8-9-19(29-2)18(12-14)24-13-17(21(26)23-11-10-20(25)30-3)15-6-4-5-7-16(15)22(24)27/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)
InChIKey
DJWARJUNFDJLBY-UHFFFAOYSA-N
Synonyms
1401586-88-6
1401586886
COC1=CC(=C(C=C1)OC)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC(=O)OC
InChI=1SC22H22N2O6c128148919(292)18(1214)241317(21(26)23111020(25)303)15645716(15)22(24)27h491213H1011H213H3(H2326)
methyl3((2(25dimethoxyphenyl)1oxoisoquinoline4carbonyl)amino)propanoate
methyl3(2(25dimethoxyphenyl)1oxo12dihydroisoquinoline4carboxamido)propanoate
methylN((2(25dimethoxyphenyl)1oxo12dihydroisoquinolin4yl)carbonyl)betaalaninate
MFCD22585395
ZINC000079492960
ZINC79492960

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Available files

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