Vitas-M small molecule compound

3-[5-hydroxy-2-oxo-6-(phenylcarbonyl)-3,4-dihydro-2H-chromen-4-yl]-7-methoxy-1-methylquinolin-2(1H)-one

Catalog ID
STL548862
SMILES COc1ccc2c(c1)n(C)c(=O)c(c2)C1CC(=O)Oc2c1c(O)c(cc2)C(=O)c1ccccc1

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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 C27H21NO6 MW 455.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO6/c1-28-21-13-17(33-2)9-8-16(21)12-20(27(28)32)19-14-23(29)34-22-11-10-18(26(31)24(19)22)25(30)15-6-4-3-5-7-15/h3-13,19,31H,14H2,1-2H3
InChIKey
RSQZSZGXQMCFSG-UHFFFAOYSA-N
Synonyms

110206504
3(5hydroxy2oxo6(phenylcarbonyl)34dihydro2Hchromen4yl)7methoxy1methylquinolin2(1H)one
3(6benzoyl5hydroxy2oxo34dihydrochromen4yl)7methoxy1methylquinolin2one
3(6BENZOYL5HYDROXY2OXOCHROMAN4YL)7METHOXY1METHYLQUINOLIN2(1H)ONE
InChI=1SC27H21NO6c128211317(332)9816(21)1220(27(28)32)191423(29)3422111018(26(31)24(19)22)25(30)156435715h3131931H14H212H3
MFCD29055725
ZINC000253412686
ZINC000253412687

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Available files

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