Vitas-M small molecule compound
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(5-nitrofuran-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK058739
SMILES O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1ccc(o1)[N+](=O)[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 C21H25NO7 MW 403.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO7/c1-20(2)7-11(23)17(12(24)8-20)19(15-5-6-16(29-15)22(27)28)18-13(25)9-21(3,4)10-14(18)26/h5-6,17,19,25H,7-10H2,1-4H3InChIKey
ZTQOCHAOTLVTKI-UHFFFAOYSA-NSynonyms
304455-27-42((2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)(5NITROFURAN2YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(5NITROFURAN2YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
304455274
CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(O2)(N+)(=O)(O))C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC21H25NO7c120(2)711(23)17(12(24)820)19(155616(2915)22(27)28)1813(25)921(34)1014(18)26h56171925H710H214H3
MFCD00468945
O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1ccc(o1)(N+)(=O)(O)
STK058739
ZINC000100004224
ZINC000100004225
Check stock
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Check stock on Vitas-MAvailable files
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