Vitas-M small molecule compound
2-butanoyl-5,5-dimethyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one
Catalog ID
STL325629
SMILES CCCC(=O)C1=C(Nc2cccc(c2)[N+](=O)[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 C18H22N2O4 MW 330.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O4/c1-4-6-15(21)17-14(10-18(2,3)11-16(17)22)19-12-7-5-8-13(9-12)20(23)24/h5,7-9,19H,4,6,10-11H2,1-3H3InChIKey
COKBDCULQPESIP-UHFFFAOYSA-NSynonyms
2butanoyl55dimethyl3((3nitrophenyl)amino)cyclohex2en1one
2BUTANOYL55DIMETHYL3(3NITROANILINO)CYCLOHEX2EN1ONE
2butyryl55dimethyl3((3nitrophenyl)amino)cyclohex2enone
CCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC(=CC=C2)(N+)(=O)(O)
CCCC(=O)C1=C(Nc2cccc(c2)(N+)(=O)(O))CC(CC1=O)(C)C
InChI=1SC18H22N2O4c14615(21)1714(1018(23)1116(17)22)191275813(912)20(23)24h57919H461011H213H3
MFCD00513009
ZINC000100319210
ZINC100319210
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