Vitas-M small molecule compound

methyl 3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(quinolin-6-yl)propanoate

Catalog ID
STL545497
SMILES COC(=O)CC(c1cc2OCOc2cc1O)c1ccc2c(c1)cccn2

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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 C20H17NO5 MW 351.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5/c1-24-20(23)9-14(12-4-5-16-13(7-12)3-2-6-21-16)15-8-18-19(10-17(15)22)26-11-25-18/h2-8,10,14,22H,9,11H2,1H3
InChIKey
FOBTTZMYKNNZOP-UHFFFAOYSA-N
Synonyms
1676086-34-2
102564638
1676086342
InChI=1SC20H17NO5c12420(23)914(12451613(712)3262116)1581819(1017(15)22)26112518h28101422H911H21H3
methyl3(6hydroxy13benzodioxol5yl)3(quinolin6yl)propanoate
methyl3(6hydroxy13benzodioxol5yl)3quinolin6ylpropanoate
METHYL3(6HYDROXYBENZO(D)(13)DIOXOL5YL)3(QUINOLIN6YL)PROPANOATE
MFCD28985546
ZINC000217990647
ZINC000217990724

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Available files

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