Vitas-M small molecule compound
diethyl 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK855811
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(cc1)C(C)(C)C)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 C23H32O6 MW 404.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32O6/c1-7-28-20(25)18-16(24)13-23(6,27)19(21(26)29-8-2)17(18)14-9-11-15(12-10-14)22(3,4)5/h9-12,17-19,27H,7-8,13H2,1-6H3InChIKey
WQOSIFNKORDPQG-UHFFFAOYSA-NSynonyms
1005106-40-01005106400
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)C(C)(C)C
diethyl2(4(tertbutyl)phenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
diethyl2(4tertbutylphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC23H32O6c172820(25)1816(24)1323(627)19(21(26)2982)17(18)1491115(121014)22(34)5h912171927H7813H216H3
MFCD03290726
ZINC000004112396
ZINC000013564204
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