Vitas-M small molecule compound
2-{(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)[4-(prop-2-en-1-yloxy)phenyl]methyl}-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK673614
SMILES C=CCOc1ccc(cc1)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 C26H32O5 MW 424.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32O5/c1-6-11-31-17-9-7-16(8-10-17)22(23-18(27)12-25(2,3)13-19(23)28)24-20(29)14-26(4,5)15-21(24)30/h6-10,22-23,29H,1,11-15H2,2-5H3InChIKey
OXHUQUMKFKHFCT-UHFFFAOYSA-NSynonyms
2((2hydroxy44dimethyl6oxocyclohex1en1yl)(4(prop2en1yloxy)phenyl)methyl)55dimethylcyclohexane13dione
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(4PROP2ENOXYPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((4(ALLYLOXY)PHENYL)(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)OCC=C)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC26H32O5c161131179716(81017)22(2318(27)1225(23)1319(23)28)2420(29)1426(45)1521(24)30h610222329H11115H225H3
MFCD01202744
ZINC000100059842
ZINC000100059846
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