Vitas-M small molecule compound
2-[(4-chloro-3-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK059597
SMILES O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1ccc(c(c1)[N+](=O)[O-])Cl
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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(12-5-6-13(24)14(7-12)25(30)31)21-17(28)10-23(3,4)11-18(21)29/h5-7,19-20,28H,8-11H2,1-4H3InChIKey
QUYQBEJRYLGLOV-UHFFFAOYSA-NSynonyms
2((4CHLORO3NITROPHENYL)(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((4CHLORO3NITROPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((4CHLORO3NITROPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((4CHLORO3NITROPHENYL)(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC23H26ClNO6c122(2)815(26)20(16(27)922)19(125613(24)14(712)25(30)31)2117(28)1023(34)1118(21)29h57192028H811H214H3
MFCD00593692
O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1ccc(c(c1)(N+)(=O)(O))Cl
STK059597
ZINC000100003718
ZINC000100003719
Check stock
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Check stock on Vitas-MAvailable files
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