Vitas-M small molecule compound
2-[(5-bromo-2-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK001498
SMILES Brc1ccc(c(c1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C)O
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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 C23H27BrO5 MW 463.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27BrO5/c1-22(2)8-15(26)20(16(27)9-22)19(13-7-12(24)5-6-14(13)25)21-17(28)10-23(3,4)11-18(21)29/h5-7,19-20,25,28H,8-11H2,1-4H3InChIKey
XWVVLNASOXHMDH-UHFFFAOYSA-NSynonyms
296771-77-22((5BROMO2HYDROXYPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((5BROMO2HYDROXYPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
296771772
Brc1ccc(c(c1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C)O
CC1(CC(=O)C(C(=O)C1)C(C2=C(C=CC(=C2)Br)O)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC23H27BrO5c122(2)815(26)20(16(27)922)19(13712(24)5614(13)25)2117(28)1023(34)1118(21)29h5719202528H811H214H3
MFCD00557070
STK001498
ZINC000100003700
ZINC000100003701
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