Vitas-M small molecule compound

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

Catalog ID
STL544062
SMILES COC(=O)CC(c1coc2c(c1=O)cc(cc2)OC)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 C29H22O12 MW 562.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22O12/c1-38-13-4-6-21-15(8-13)25(35)16(11-40-21)14(9-22(34)39-2)23-19(32)10-20(33)24-26(36)27(37)28(41-29(23)24)12-3-5-17(30)18(31)7-12/h3-8,10-11,14,30-33,37H,9H2,1-2H3
InChIKey
IXLKJEVPRSMNAQ-UHFFFAOYSA-N
Synonyms
1574394-09-4
1574394094
71826663
InChI=1SC29H22O12c13813462115(813)25(35)16(114021)14(922(34)392)2319(32)1020(33)2426(36)27(37)28(4129(23)24)123517(30)18(31)712h38101114303337H9H212H3
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxo4Hchromen8yl)3(6methoxy4oxo4Hchromen3yl)propanoate
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxochromen8yl)3(6methoxy4oxochromen3yl)propanoate
MFCD28051189
ZINC000097971977
ZINC000097971978

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Available files

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