Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis{3-[4-methoxy-3-(2-methoxy-2-oxoethoxy)phenyl]propanoate}
Catalog ID
STL545535
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1)OCC(=O)OC)OC)CC(=O)OC)c1ccc(c(c1)OCC(=O)OC)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 C34H36O16 MW 700.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36O16/c1-43-21-9-7-17(11-23(21)49-15-27(37)47-5)19(13-25(35)45-3)29-31(39)33(41)30(34(42)32(29)40)20(14-26(36)46-4)18-8-10-22(44-2)24(12-18)50-16-28(38)48-6/h7-12,19-20,39,42H,13-16H2,1-6H3InChIKey
OLIMLBKARFVRKM-UHFFFAOYSA-NSynonyms
1676077-47-6102564635
1676077476
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(4methoxy3(2methoxy2oxoethoxy)phenyl)propanoate)
InChI=1SC34H36O16c143219717(1123(21)491527(37)475)19(1325(35)453)2931(39)33(41)30(34(42)32(29)40)20(1426(36)464)1881022(442)24(1218)501628(38)486h71219203942H1316H216H3
methyl3(25dihydroxy4(3methoxy1(4methoxy3(2methoxy2oxoethoxy)phenyl)3oxopropyl)36dioxocyclohexa14dien1yl)3(4methoxy3(2methoxy2oxoethoxy)phenyl)propanoate
MFCD28985542
ZINC000217989628
ZINC000217989796
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