Vitas-M small molecule compound
1-(3,3-dimethyl-2-oxobutyl)-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Catalog ID
STL055717
SMILES Cc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)C(C)(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 C19H25N2O MW 297.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N2O/c1-14-7-9-15(10-8-14)16-12-20(13-17(22)19(2,3)4)18-6-5-11-21(16)18/h7-10,12H,5-6,11,13H2,1-4H3/q+1InChIKey
KBSHMLSNDFKOSR-UHFFFAOYSA-NSynonyms
1(33dimethyl2oxobutyl)3(4methylphenyl)1567tetrahydropyrrolo(12a)imidazol4ium
33DIMETHYL1(3(4METHYLPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)BUTAN2ONE
CC1=CC=C(C=C1)C2=C(N+)(=C3N2CCC3)CC(=O)C(C)(C)C
Cc1ccc(cc1)c1cn(c2(n+)1CCC2)CC(=O)C(C)(C)C
InChI=1SC19H25N2Oc1147915(10814)161220(1317(22)19(23)4)18651121(16)18h71012H561113H214H3q+1
ZINC000016972490
ZINC16972490
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