Vitas-M small molecule compound

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

Catalog ID
STL542050
SMILES COC(=O)CC(c1cc2ccccc2n(c1=O)CC(C)C)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 C32H29NO10 MW 587.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29NO10/c1-15(2)14-33-20-7-5-4-6-16(20)10-19(32(33)41)18(12-25(38)42-3)26-23(36)13-24(37)27-28(39)29(40)30(43-31(26)27)17-8-9-21(34)22(35)11-17/h4-11,13,15,18,34-37,40H,12,14H2,1-3H3
InChIKey
AKFIYHMFNQEARU-UHFFFAOYSA-N
Synonyms
1574391-50-6
1574391506
75492526
InChI=1SC32H29NO10c115(2)143320754616(20)1019(32(33)41)18(1225(38)423)2623(36)1324(37)2728(39)29(40)30(4331(26)27)178921(34)22(35)1117h411131518343740H1214H213H3
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxo4Hchromen8yl)3(1(2methylpropyl)2oxo12dihydroquinolin3yl)propanoate
METHYL3(2(34DIHYDROXYPHENYL)357TRIHYDROXY4OXO4HCHROMEN8YL)3(1ISOBUTYL2OXO12DIHYDROQUINOLIN3YL)PROPANOATE
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxochromen8yl)3(1(2methylpropyl)2oxoquinolin3yl)propanoate
MFCD28052714
ZINC000108451395
ZINC000108451397

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Available files

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