Vitas-M small molecule compound

methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(quinolin-4-yl)propanoate

Catalog ID
STL540895
SMILES COC(=O)CC(c1ccnc2c1cccc2)c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O

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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 C28H21NO9 MW 515.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21NO9/c1-37-22(34)11-16(14-8-9-29-17-5-3-2-4-15(14)17)23-20(32)12-21(33)24-25(35)26(36)27(38-28(23)24)13-6-7-18(30)19(31)10-13/h2-10,12,16,30-33,36H,11H2,1H3
InChIKey
JAIJLTALXAQIJH-UHFFFAOYSA-N
Synonyms
1574343-92-2
1574343922
75492283
InChI=1SC28H21NO9c13722(34)1116(14892917532415(14)17)2320(32)1221(33)2425(35)26(36)27(3828(23)24)136718(30)19(31)1013h2101216303336H11H21H3
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxo4Hchromen8yl)3(quinolin4yl)propanoate
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxochromen8yl)3quinolin4ylpropanoate
MFCD28052613
ZINC000096222516
ZINC000096222517

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Available files

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