Vitas-M small molecule compound
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(2-methylphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK050300
SMILES O=C1CC(C)(C)CC(=O)C1C(c1ccccc1C)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 C24H30O4 MW 382.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30O4/c1-14-8-6-7-9-15(14)20(21-16(25)10-23(2,3)11-17(21)26)22-18(27)12-24(4,5)13-19(22)28/h6-9,20-21,27H,10-13H2,1-5H3InChIKey
NQAAYHFDCUETDW-UHFFFAOYSA-NSynonyms
2((2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)(2METHYLPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(2METHYLPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)(2METHYLPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1=CC=CC=C1C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O
InChI=1SC24H30O4c114867915(14)20(2116(25)1023(23)1117(21)26)2218(27)1224(45)1319(22)28h69202127H1013H215H3
MFCD01047106
O=C1CC(C)(C)CC(=O)C1C(c1ccccc1C)C1=C(O)CC(CC1=O)(C)C
STK050300
ZINC000100007320
ZINC000100007321
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.