Vitas-M small molecule compound
2-{[3-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK018761
SMILES O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1cccc(c1)OCc1ccccc1
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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)14-22(31)27(23(32)15-29)26(28-24(33)16-30(3,4)17-25(28)34)20-11-8-12-21(13-20)35-18-19-9-6-5-7-10-19/h5-13,26-27,33H,14-18H2,1-4H3InChIKey
AFMYPXRUXAYTFM-UHFFFAOYSA-NSynonyms
304665-75-62((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(3PHENYLMETHOXYPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((3(BENZYLOXY)PHENYL)(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((3(BENZYLOXY)PHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
304665756
CC1(CC(=O)C(C(=O)C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)C
InChI=1SC30H34O5c129(2)1422(31)27(23(32)1529)26(2824(33)1630(34)1725(28)34)201181221(1320)35181996571019h513262733H1418H214H3
MFCD00585959
O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1cccc(c1)OCc1ccccc1
STK018761
ZINC000100070760
ZINC000100070763
Check stock
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Check stock on Vitas-MAvailable files
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