Vitas-M small molecule compound
2-[(4,5-dimethoxy-2-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK045272
SMILES COc1cc([N+](=O)[O-])c(cc1OC)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 C25H31NO8 MW 473.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO8/c1-24(2)9-15(27)22(16(28)10-24)21(23-17(29)11-25(3,4)12-18(23)30)13-7-19(33-5)20(34-6)8-14(13)26(31)32/h7-8,21-22,29H,9-12H2,1-6H3InChIKey
LFYKMNRTXIMMGU-UHFFFAOYSA-NSynonyms
2((2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)(2NITRO45DIMETHOXYPHENYL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((45DIMETHOXY2NITROPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((45DIMETHOXY2NITROPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((45DIMETHOXY2NITROPHENYL)(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C=C2(N+)(=O)(O))OC)OC)C3=C(CC(CC3=O)(C)C)O)C
COc1cc((N+)(=O)(O))c(cc1OC)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C
InChI=1SC25H31NO8c124(2)915(27)22(16(28)1024)21(2317(29)1125(34)1218(23)30)13719(335)20(346)814(13)26(31)32h78212229H912H216H3
MFCD00556366
STK045272
ZINC000100003694
ZINC000100003695
Check stock
See real-time availability and sample size for STK045272 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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