Vitas-M small molecule compound
3-(4-methylphenyl)-1-(2-oxopropyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Catalog ID
STL048763
SMILES CC(=O)Cn1cc([n+]2c1CCC2)c1ccc(cc1)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 C16H19N2O MW 255.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N2O/c1-12-5-7-14(8-6-12)15-11-17(10-13(2)19)16-4-3-9-18(15)16/h5-8,11H,3-4,9-10H2,1-2H3/q+1InChIKey
XJTAWCRHNGGYKU-UHFFFAOYSA-NSynonyms
1(3(4METHYLPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)PROPAN2ONE
3(4methylphenyl)1(2oxopropyl)1567tetrahydropyrrolo(12a)imidazol4ium
CC(=O)Cn1cc((n+)2c1CCC2)c1ccc(cc1)C
CC1=CC=C(C=C1)C2=C(N+)(=C3N2CCC3)CC(=O)C
InChI=1SC16H19N2Oc1125714(8612)151117(1013(2)19)1643918(15)16h5811H34910H212H3q+1
ZINC000017206793
ZINC17206793
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