Vitas-M small molecule compound
methyl N-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}-beta-alaninate
Catalog ID
STL247645
SMILES COC(=O)CCNC(=O)c1cn(c2ccc(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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-27-15-9-7-14(8-10-15)23-13-18(20(25)22-12-11-19(24)28-2)16-5-3-4-6-17(16)21(23)26/h3-10,13H,11-12H2,1-2H3,(H,22,25)InChIKey
IUHDKRIJVQZJSE-UHFFFAOYSA-NSynonyms
1351694-65-91351694659
COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC(=O)OC
InChI=1SC21H20N2O5c127159714(81015)231318(20(25)22121119(24)282)16534617(16)21(23)26h31013H1112H212H3(H2225)
methyl3((2(4methoxyphenyl)1oxoisoquinoline4carbonyl)amino)propanoate
methyl3(2(4methoxyphenyl)1oxo12dihydroisoquinoline4carboxamido)propanoate
methylN((2(4methoxyphenyl)1oxo12dihydroisoquinolin4yl)carbonyl)betaalaninate
MFCD20536631
ZINC000072401533
ZINC72401533
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