Vitas-M small molecule compound

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

Catalog ID
STK049341
SMILES Oc1ccc(c(c1)O)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 C23H28O6 MW 400.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28O6/c1-22(2)8-15(26)20(16(27)9-22)19(13-6-5-12(24)7-14(13)25)21-17(28)10-23(3,4)11-18(21)29/h5-7,19-20,24-25,28H,8-11H2,1-4H3
InChIKey
YOHDMGBLKYYXTO-UHFFFAOYSA-N
Synonyms

2((24DIHYDROXYPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((24DIHYDROXYPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((24DIHYDROXYPHENYL)(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=C(C=C(C=C2)O)O)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC23H28O6c122(2)815(26)20(16(27)922)19(136512(24)714(13)25)2117(28)1023(34)1118(21)29h571920242528H811H214H3
MFCD01047109
Oc1ccc(c(c1)O)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C
STK049341
ZINC000100005178
ZINC000100005179

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Available files

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