Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(4-hydroxy-3-methoxyphenyl)propanoate]
Catalog ID
STL544977
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1)OC)O)CC(=O)OC)c1ccc(c(c1)OC)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 C28H28O12 MW 556.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28O12/c1-37-19-9-13(5-7-17(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)14-6-8-18(30)20(10-14)38-2/h5-10,15-16,29-30,33,36H,11-12H2,1-4H3InChIKey
LJVBQOASSUSUDI-UHFFFAOYSA-NSynonyms
1676082-47-5102564475
1676082475
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(4hydroxy3methoxyphenyl)propanoate)
InChI=1SC28H28O12c13719913(5717(19)29)15(1121(31)393)2325(33)27(35)24(28(36)26(23)34)16(1222(32)404)146818(30)20(1014)382h510151629303336H1112H214H3
methyl3(25dihydroxy4(1(4hydroxy3methoxyphenyl)3methoxy3oxopropyl)36dioxocyclohexa14dien1yl)3(4hydroxy3methoxyphenyl)propanoate
MFCD28985372
ZINC000217946628
ZINC000217946799
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