Vitas-M small molecule compound
2-{[2-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK018503
SMILES O=C1CC(C)(C)CC(=O)C1C(c1ccccc1OCc1ccccc1)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 C30H34O5 MW 474.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34O5/c1-29(2)14-21(31)27(22(32)15-29)26(28-23(33)16-30(3,4)17-24(28)34)20-12-8-9-13-25(20)35-18-19-10-6-5-7-11-19/h5-13,26-27,33H,14-18H2,1-4H3InChIKey
IUBCPQXNWONRMD-UHFFFAOYSA-NSynonyms
2((2(BENZYLOXY)PHENYL)(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE2((2(BENZYLOXY)PHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(2PHENYLMETHOXYPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)(2(PHENYLMETHOXY)PHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)C
O=C1CC(C)(C)CC(=O)C1C(c1ccccc1OCc1ccccc1)C1=C(O)CC(CC1=O)(C)C
Registry IDs
MFCD01047105ZINC000100005133
ZINC000100005135
Check stock
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Check stock on Vitas-MAvailable files
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