Vitas-M small molecule compound

4-[1-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-methoxy-3-oxopropyl]benzoic acid

Catalog ID
STL545622
SMILES COC(=O)CC(c1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O)c1ccc(cc1)C(=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 C26H20O8 MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20O8/c1-33-22(30)11-17(14-7-9-16(10-8-14)26(31)32)23-18(27)12-19(28)24-20(29)13-21(34-25(23)24)15-5-3-2-4-6-15/h2-10,12-13,17,27-28H,11H2,1H3,(H,31,32)
InChIKey
WMHWHQVRDUMREO-UHFFFAOYSA-N
Synonyms
1574514-41-2
1574514412
4(1(57dihydroxy4oxo2phenyl4Hchromen8yl)3methoxy3oxopropyl)benzoicacid
4(1(57dihydroxy4oxo2phenylchromen8yl)3methoxy3oxopropyl)benzoicacid
71825840
InChI=1SC26H20O8c13322(30)1117(147916(10814)26(31)32)2318(27)1219(28)2420(29)1321(3425(23)24)155324615h2101213172728H11H21H3(H3132)
MFCD28051842
ZINC000096116061
ZINC000096116062

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Available files

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