Vitas-M small molecule compound

diethyl 2-[4-(benzyloxy)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STK373563
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(cc1)OCc1ccccc1)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 C26H30O7 MW 454.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30O7/c1-4-31-24(28)22-20(27)15-26(3,30)23(25(29)32-5-2)21(22)18-11-13-19(14-12-18)33-16-17-9-7-6-8-10-17/h6-14,21-23,30H,4-5,15-16H2,1-3H3
InChIKey
OJSVJSVBTNXCCH-UHFFFAOYSA-N
Synonyms
64670-41-3
13CYCLOHEXANEDICARBOXYLICACID4HYDROXY4METHYL6OXO2(4(PHENYLMETHOXY)PHENYL)13DIETHYLESTER
13CYCLOHEXANEDICARBOXYLICACID4HYDROXY4METHYL6OXO2(4(PHENYLMETHOXY)PHENYL)DIETHYLESTER
64670413
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)OCC3=CC=CC=C3
diethyl2(4(benzyloxy)phenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
DIETHYL4HYDROXY4METHYL6OXO2(4PHENYLMETHOXYPHENYL)CYCLOHEXANE13DICARBOXYLATE
DIETHYL4HYDROXY4METHYL6OXO2CYCLOHEXANE13DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)2HYDROXY2METHYL4OXO6(4(PHENYLMETHOXY)PHENYL)CYCLOHEXANECARBOXYLATE
InChI=1SC26H30O7c143124(28)2220(27)1526(330)23(25(29)3252)21(22)18111319(141218)33161797681017h614212330H451516H213H3
MFCD00785414
ZINC000004108504
ZINC000013590349

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Available files

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