Vitas-M small molecule compound

ethyl 3-(1,3-benzodioxol-5-yl)-3-(2,4-dihydroxyquinolin-3-yl)propanoate

Catalog ID
STL538311
SMILES CCOC(=O)CC(c1c(O)nc2c(c1O)cccc2)c1ccc2c(c1)OCO2

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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 C21H19NO6 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO6/c1-2-26-18(23)10-14(12-7-8-16-17(9-12)28-11-27-16)19-20(24)13-5-3-4-6-15(13)22-21(19)25/h3-9,14H,2,10-11H2,1H3,(H2,22,24,25)
InChIKey
AYBXOVPBDCIPQW-UHFFFAOYSA-N
Synonyms
1374522-84-5
1374522845
71691937
ethyl3(13benzodioxol5yl)3(24dihydroxyquinolin3yl)propanoate
ethyl3(13benzodioxol5yl)3(4hydroxy2oxo1~(H)quinolin3yl)propanoate
ETHYL3(BENZO(D)(13)DIOXOL5YL)3(4HYDROXY2OXO12DIHYDROQUINOLIN3YL)PROPANOATE
InChI=1SC21H19NO6c122618(23)1014(12781617(912)28112716)1920(24)13534615(13)2221(19)25h3914H21011H21H3(H2222425)
MFCD31754546
ZINC000072325258
ZINC000072325260

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Available files

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