Vitas-M small molecule compound
2-[(2-chlorophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK052827
SMILES O=C1CC(C)(C)CC(=O)C1C(c1ccccc1Cl)C1=C(O)CC(CC1=O)(C)C
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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 C23H27ClO4 MW 402.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClO4/c1-22(2)9-15(25)20(16(26)10-22)19(13-7-5-6-8-14(13)24)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-20,27H,9-12H2,1-4H3InChIKey
UMYHTZOAZYHTIA-UHFFFAOYSA-NSynonyms
2((2CHLOROPHENYL)(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((2CHLOROPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2CHLOROPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2CHLOROPHENYL)(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC=CC=C2Cl)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC23H27ClO4c122(2)915(25)20(16(26)1022)19(13756814(13)24)2117(27)1123(34)1218(21)28h58192027H912H214H3
MFCD00550854
O=C1CC(C)(C)CC(=O)C1C(c1ccccc1Cl)C1=C(O)CC(CC1=O)(C)C
STK052827
ZINC000100007766
ZINC000100007768
Check stock
See real-time availability and sample size for STK052827 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.