Vitas-M small molecule compound

diethyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STL558336
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(c(c1)OC)O)C(=O)OCC)(C)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 C20H26O8 MW 394.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26O8/c1-5-27-18(23)16-13(22)10-20(3,25)17(19(24)28-6-2)15(16)11-7-8-12(21)14(9-11)26-4/h7-9,15-17,21,25H,5-6,10H2,1-4H3
InChIKey
YNVNVUVIHRYHDO-UHFFFAOYSA-N
Synonyms

386768
DIETHYL4HYDROXY2(4HYDROXY3METHOXYPHENYL)4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
diethyl4hydroxy2(4hydroxy3methoxyphenyl)4methyl6oxocyclohexane13dicarboxylate
ETHYL5(ETHOXYCARBONYL)2HYDROXY6(4HYDROXY3METHOXYPHENYL)2METHYL4OXOCYCLOHEXANECARBOXYLATE
InChI=1SC20H26O8c152718(23)1613(22)1020(325)17(19(24)2862)15(16)117812(21)14(911)264h7915172125H5610H214H3
MFCD01032022
ZINC000000714466
ZINC000012660916

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Available files

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