Vitas-M small molecule compound
dimethyl 2-(3,4-dichlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK373560
SMILES COC(=O)C1C(=O)CC(C(C1c1ccc(c(c1)Cl)Cl)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 C17H18Cl2O6 MW 389.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18Cl2O6/c1-17(23)7-11(20)13(15(21)24-2)12(14(17)16(22)25-3)8-4-5-9(18)10(19)6-8/h4-6,12-14,23H,7H2,1-3H3InChIKey
CLQCHXHLOVONIH-UHFFFAOYSA-NSynonyms
CC1(CC(=O)C(C(C1C(=O)OC)C2=CC(=C(C=C2)Cl)Cl)C(=O)OC)O
dimethyl2(34dichlorophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC17H18Cl2O6c117(23)711(20)13(15(21)242)12(14(17)16(22)253)8459(18)10(19)68h46121423H7H213H3
METHYL6(34DICHLOROPHENYL)2HYDROXY5(METHOXYCARBONYL)2METHYL4OXOCYCLOHEXANECARBOXYLATE
MFCD00785411
ZINC000001202289
ZINC000013590351
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