Vitas-M small molecule compound

methyl 3-(3-hydroxy-4-methoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate

Catalog ID
STL540408
SMILES COC(=O)CC(c1c(O)c(O)c(c2c1oc(cc2=O)c1ccccc1)O)c1ccc(c(c1)O)OC

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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 C26H22O9 MW 478.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22O9/c1-33-18-9-8-14(10-16(18)27)15(11-20(29)34-2)21-23(30)25(32)24(31)22-17(28)12-19(35-26(21)22)13-6-4-3-5-7-13/h3-10,12,15,27,30-32H,11H2,1-2H3
InChIKey
XNSFJGCTDFIGNW-UHFFFAOYSA-N
Synonyms
1574397-76-4
1574397764
75491286
InChI=1SC26H22O9c133189814(1016(18)27)15(1120(29)342)2123(30)25(32)24(31)2217(28)1219(3526(21)22)136435713h3101215273032H11H212H3
methyl3(3hydroxy4methoxyphenyl)3(567trihydroxy4oxo2phenyl4Hchromen8yl)propanoate
methyl3(3hydroxy4methoxyphenyl)3(567trihydroxy4oxo2phenylchromen8yl)propanoate
MFCD28052241
ZINC000096221240
ZINC000096221241

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Available files

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