Vitas-M small molecule compound

2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3-hydroxy-4-methoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione

Catalog ID
STK079753
SMILES COc1ccc(cc1O)C(C1=C(O)CC(CC1=O)(C)C)C1C(=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 C24H30O6 MW 414.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30O6/c1-23(2)9-15(26)21(16(27)10-23)20(13-6-7-19(30-5)14(25)8-13)22-17(28)11-24(3,4)12-18(22)29/h6-8,20-21,25,28H,9-12H2,1-5H3
InChIKey
OHGUZBCLDFOJCT-UHFFFAOYSA-N
Synonyms

2((2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)(3HYDROXY4METHOXYPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(3HYDROXY4METHOXYPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)(3HYDROXY4METHOXYPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C=C2)OC)O)C3=C(CC(CC3=O)(C)C)O)C
COc1ccc(cc1O)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C
InChI=1SC24H30O6c123(2)915(26)21(16(27)1023)20(136719(305)14(25)813)2217(28)1124(34)1218(22)29h6820212528H912H215H3
MFCD00556208
STK079753
ZINC000100003696
ZINC000100003698

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Available files

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