Vitas-M small molecule compound
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(2-hydroxy-5-nitrophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK055919
SMILES O=C1CC(C)(C)CC(=O)C1C(c1cc(ccc1O)[N+](=O)[O-])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 C23H27NO7 MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO7/c1-22(2)8-15(26)20(16(27)9-22)19(13-7-12(24(30)31)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
TWUHEIIWRXSORR-UHFFFAOYSA-NSynonyms
2((2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)(2HYDROXY5NITROPHENYL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)(2HYDROXY5NITROPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(2HYDROXY5NITROPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)(2HYDROXY5NITROPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=C(C=CC(=C2)(N+)(=O)(O))O)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC23H27NO7c122(2)815(26)20(16(27)922)19(13712(24(30)31)5614(13)25)2117(28)1023(34)1118(21)29h5719202528H811H214H3
MFCD00588611
O=C1CC(C)(C)CC(=O)C1C(c1cc(ccc1O)(N+)(=O)(O))C1=C(O)CC(CC1=O)(C)C
STK055919
ZINC000009086896
ZINC000100003706
Check stock
See real-time availability and sample size for STK055919 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.