Vitas-M small molecule compound
1-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Catalog ID
STL048976
SMILES O=C(Nc1ccccc1F)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 C21H21FN3O MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O/c1-15-8-10-16(11-9-15)19-13-24(21-7-4-12-25(19)21)14-20(26)23-18-6-3-2-5-17(18)22/h2-3,5-6,8-11,13H,4,7,12,14H2,1H3/p+1InChIKey
SQQGTLWLNCEIBK-UHFFFAOYSA-OSynonyms
1(2((2fluorophenyl)amino)2oxoethyl)3(4methylphenyl)1567tetrahydropyrrolo(12a)imidazol4ium
CC1=CC=C(C=C1)C2=C(N+)(=C3N2CCC3)CC(=O)NC4=CC=CC=C4F
InChI=1SC21H20FN3Oc11581016(11915)191324(21741225(19)21)1420(26)2318632517(18)22h235681113H471214H21H3p+1
N(2FLUOROPHENYL)2(3(4METHYLPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)ACETAMIDE
O=C(Nc1ccccc1F)Cn1cc((n+)2c1CCC2)c1ccc(cc1)C
ZINC000013769981
ZINC01276292
ZINC02424539
ZINC13769981
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