Vitas-M small molecule compound
diethyl 2-(4-ethylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK853789
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(cc1)CC)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 C21H28O6 MW 376.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28O6/c1-5-13-8-10-14(11-9-13)16-17(19(23)26-6-2)15(22)12-21(4,25)18(16)20(24)27-7-3/h8-11,16-18,25H,5-7,12H2,1-4H3InChIKey
OECMTGUEEMPTDL-UHFFFAOYSA-NSynonyms
1005188-70-41005188704
CCC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OCC)(C)O)C(=O)OCC
DIETHYL(1R2S3R4R)2(4ETHYLPHENYL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
diethyl2(4ethylphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC21H28O6c151381014(11913)1617(19(23)2662)15(22)1221(425)18(16)20(24)2773h811161825H5712H214H3
MFCD03288024
ZINC000013563197
ZINC000239377908
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