Vitas-M small molecule compound
2-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK026551
SMILES O=C1CC(C)(C)CC(=O)C1C(c1cc(ccc1Cl)[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 C23H26ClNO6 MW 447.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClNO6/c1-22(2)8-15(26)20(16(27)9-22)19(13-7-12(25(30)31)5-6-14(13)24)21-17(28)10-23(3,4)11-18(21)29/h5-7,19-20,28H,8-11H2,1-4H3InChIKey
DBPFAJNWKCOZOA-UHFFFAOYSA-NSynonyms
306324-82-32((2CHLORO5NITROPHENYL)(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((2CHLORO5NITROPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2CHLORO5NITROPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2CHLORO5NITROPHENYL)(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
306324823
CC1(CC(=O)C(C(=O)C1)C(C2=C(C=CC(=C2)(N+)(=O)(O))Cl)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC23H26ClNO6c122(2)815(26)20(16(27)922)19(13712(25(30)31)5614(13)24)2117(28)1023(34)1118(21)29h57192028H811H214H3
MFCD00587689
O=C1CC(C)(C)CC(=O)C1C(c1cc(ccc1Cl)(N+)(=O)(O))C1=C(O)CC(CC1=O)(C)C
STK026551
ZINC000100003529
ZINC000100003531
Check stock
See real-time availability and sample size for STK026551 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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