Vitas-M small molecule compound

methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(naphthalen-1-yl)propanoate

Catalog ID
STL542629
SMILES COC(=O)CC(c1cccc2c1cccc2)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 C29H22O9 MW 514.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22O9/c1-37-23(34)12-18(17-8-4-6-14-5-2-3-7-16(14)17)24-21(32)13-22(33)25-26(35)27(36)28(38-29(24)25)15-9-10-19(30)20(31)11-15/h2-11,13,18,30-33,36H,12H2,1H3
InChIKey
PMPOMNVFLDXZIF-UHFFFAOYSA-N
Synonyms
1574409-24-7
1574409247
71827078
InChI=1SC29H22O9c13723(34)1218(1784614523716(14)17)2421(32)1322(33)2526(35)27(36)28(3829(24)25)1591019(30)20(31)1115h2111318303336H12H21H3
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxo4Hchromen8yl)3(naphthalen1yl)propanoate
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxochromen8yl)3naphthalen1ylpropanoate
MFCD28050841
ZINC000096114213
ZINC000096114214

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Available files

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