Vitas-M small molecule compound
dimethyl 4-hydroxy-4-methyl-2-(4-methylphenyl)-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK841225
SMILES COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)C)C(=O)OC)(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 C18H22O6 MW 334.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22O6/c1-10-5-7-11(8-6-10)13-14(16(20)23-3)12(19)9-18(2,22)15(13)17(21)24-4/h5-8,13-15,22H,9H2,1-4H3InChIKey
QYLMZOSCRKUEBH-UHFFFAOYSA-NSynonyms
142592-13-0142592130
CC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OC)(C)O)C(=O)OC
dimethyl4hydroxy4methyl2(4methylphenyl)6oxocyclohexane13dicarboxylate
dimethyl4hydroxy4methyl6oxo2(ptolyl)cyclohexane13dicarboxylate
InChI=1SC18H22O6c1105711(8610)1314(16(20)233)12(19)918(222)15(13)17(21)244h58131522H9H214H3
MFCD02051864
ZINC000013596769
ZINC000239402670
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