Vitas-M small molecule compound
methyl N-{[3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]carbonyl}-beta-alaninate
Catalog ID
STL544263
SMILES COC(=O)CCNC(=O)C1c2ccccc2C(=O)N(C1c1ccc2c(c1)OCO2)C
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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/c1-24-20(13-7-8-16-17(11-13)30-12-29-16)19(21(26)23-10-9-18(25)28-2)14-5-3-4-6-15(14)22(24)27/h3-8,11,19-20H,9-10,12H2,1-2H3,(H,23,26)InChIKey
GKHCFQLJGSHSKL-UHFFFAOYSA-NSynonyms
1676074-13-7102565180
1676074137
InChI=1SC22H22N2O6c12420(13781617(1113)30122916)19(21(26)2310918(25)282)14534615(14)22(24)27h38111920H91012H212H3(H2326)
methyl3((3(13benzodioxol5yl)2methyl1oxo34dihydroisoquinoline4carbonyl)amino)propanoate
methyl3(3(benzo(d)(13)dioxol5yl)2methyl1oxo1234tetrahydroisoquinoline4carboxamido)propanoate
methylN((3(13benzodioxol5yl)2methyl1oxo1234tetrahydroisoquinolin4yl)carbonyl)betaalaninate
MFCD28986056
ZINC000218126081
ZINC000218126315
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