Vitas-M small molecule compound
dimethyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK373561
SMILES COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)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 C17H19ClO6 MW 354.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClO6/c1-17(22)8-11(19)13(15(20)23-2)12(14(17)16(21)24-3)9-4-6-10(18)7-5-9/h4-7,12-14,22H,8H2,1-3H3InChIKey
MVVRECSWYQVSNV-UHFFFAOYSA-NSynonyms
358731-69-82(4CHLOROPHENYL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLICACIDDIMETHYLESTER
358731698
CC1(CC(=O)C(C(C1C(=O)OC)C2=CC=C(C=C2)Cl)C(=O)OC)O
dimethyl2(4chlorophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC17H19ClO6c117(22)811(19)13(15(20)232)12(14(17)16(21)243)94610(18)759h47121422H8H213H3
METHYL6(4CHLOROPHENYL)2HYDROXY5(METHOXYCARBONYL)2METHYL4OXOCYCLOHEXANECARBOXYLATE
MFCD00785412
ZINC000004108485
ZINC000013583612
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