Vitas-M small molecule compound
diethyl 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK396894
SMILES CCOc1ccc(cc1)C1C(C(=O)OCC)C(=O)CC(C1C(=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 C21H28O7 MW 392.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28O7/c1-5-26-14-10-8-13(9-11-14)16-17(19(23)27-6-2)15(22)12-21(4,25)18(16)20(24)28-7-3/h8-11,16-18,25H,5-7,12H2,1-4H3InChIKey
SYMQGPSLVUNGPV-UHFFFAOYSA-NSynonyms
313270-81-4313270814
CCOC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OCC)(C)O)C(=O)OCC
diethyl2(4ethoxyphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC21H28O7c15261410813(91114)1617(19(23)2762)15(22)1221(425)18(16)20(24)2873h811161825H5712H214H3
MFCD00717862
ZINC000013562767
ZINC000239212571
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