Vitas-M small molecule compound

methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(quinoxalin-6-yl)propanoate

Catalog ID
STL542208
SMILES COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)c1ccc2c(c1)nccn2

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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 C27H20N2O9 MW 516.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O9/c1-37-21(34)10-14(12-2-4-15-16(8-12)29-7-6-28-15)22-19(32)11-20(33)23-24(35)25(36)26(38-27(22)23)13-3-5-17(30)18(31)9-13/h2-9,11,14,30-33,36H,10H2,1H3
InChIKey
UTCYJTGDYPRRRW-UHFFFAOYSA-N
Synonyms
1574319-99-5
1574319995
71826671
InChI=1SC27H20N2O9c13721(34)1014(12241516(812)29762815)2219(32)1120(33)2324(35)25(36)26(3827(22)23)133517(30)18(31)913h291114303336H10H21H3
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxo4Hchromen8yl)3(quinoxalin6yl)propanoate
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxochromen8yl)3quinoxalin6ylpropanoate
MFCD28051181
ZINC000096114811
ZINC000096114812

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Available files

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