Vitas-M small molecule compound

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

Catalog ID
STK020492
SMILES O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1ccccc1

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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 C23H28O4 MW 368.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28O4/c1-22(2)10-15(24)20(16(25)11-22)19(14-8-6-5-7-9-14)21-17(26)12-23(3,4)13-18(21)27/h5-9,19-20,26H,10-13H2,1-4H3
InChIKey
GVCHLMRZZGMMSD-UHFFFAOYSA-N
Synonyms

13CYCLOHEXANEDIONE2((2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)PHENYLMETHYL)55DIMETHYL
2((2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)(PHENYL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)(PHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)PHENYLMETHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)PHENYLMETHYL)55DIMETHYLCYCLOHEXANE13DIONE
2(ALPHA(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)BENZYL)55DIMETHYL13CYCLOHEXANEDIONE
2(ALPHA(2HYDROXY44DIMETHYL6OXO1CYCLOHEXENYL)BENZYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC=CC=C2)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC23H28O4c122(2)1015(24)20(16(25)1122)19(148657914)2117(26)1223(34)1318(21)27h59192026H1013H214H3
MFCD00358636
O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1ccccc1
STK020492
ZINC000100003714
ZINC000100003716

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Available files

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