Vitas-M small molecule compound

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

Catalog ID
STK073491
SMILES COc1cccc(c1)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 C24H30O5 MW 398.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30O5/c1-23(2)10-16(25)21(17(26)11-23)20(14-7-6-8-15(9-14)29-5)22-18(27)12-24(3,4)13-19(22)28/h6-9,20-21,27H,10-13H2,1-5H3
InChIKey
DYMPFKAJGNBRJR-UHFFFAOYSA-N
Synonyms

2((2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)(3METHOXYPHENYL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)(3METHOXYPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(3METHOXYPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)(3METHOXYPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC(=CC=C2)OC)C3=C(CC(CC3=O)(C)C)O)C
COc1cccc(c1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C
InChI=1SC24H30O5c123(2)1016(25)21(17(26)1123)20(1476815(914)295)2218(27)1224(34)1319(22)28h69202127H1013H215H3
MFCD01972791
STK073491
ZINC000100007471
ZINC000100007473

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.