Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(3-hydroxy-4-methoxyphenyl)propanoate]
Catalog ID
STL545387
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1)O)OC)CC(=O)OC)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 C28H28O12 MW 556.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28O12/c1-37-19-7-5-13(9-17(19)29)15(11-21(31)39-3)23-25(33)27(35)24(28(36)26(23)34)16(12-22(32)40-4)14-6-8-20(38-2)18(30)10-14/h5-10,15-16,29-30,33,36H,11-12H2,1-4H3InChIKey
JDUNHCWZXAZUJI-UHFFFAOYSA-NSynonyms
1676072-91-5102565030
1676072915
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(3hydroxy4methoxyphenyl)propanoate)
InChI=1SC28H28O12c137197513(917(19)29)15(1121(31)393)2325(33)27(35)24(28(36)26(23)34)16(1222(32)404)146820(382)18(30)1014h510151629303336H1112H214H3
methyl3(25dihydroxy4(1(3hydroxy4methoxyphenyl)3methoxy3oxopropyl)36dioxocyclohexa14dien1yl)3(3hydroxy4methoxyphenyl)propanoate
MFCD28985913
ZINC000218088634
ZINC000218088806
Check stock
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Check stock on Vitas-MAvailable files
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