Vitas-M small molecule compound
1-{2-[(3-chlorophenyl)amino]-2-oxoethyl}-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Catalog ID
STL042953
SMILES O=C(Cn1cc([n+]2c1CCC2)c1ccc(cc1)C)Nc1cccc(c1)Cl
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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 C21H21ClN3O MW 366.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O/c1-15-7-9-16(10-8-15)19-13-24(21-6-3-11-25(19)21)14-20(26)23-18-5-2-4-17(22)12-18/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3/p+1InChIKey
QYMIAKPTZAFEIE-UHFFFAOYSA-OSynonyms
1(2((3chlorophenyl)amino)2oxoethyl)3(4methylphenyl)1567tetrahydropyrrolo(12a)imidazol4ium
CC1=CC=C(C=C1)C2=C(N+)(=C3N2CCC3)CC(=O)NC4=CC(=CC=C4)Cl
InChI=1SC21H20ClN3Oc1157916(10815)191324(21631125(19)21)1420(26)231852417(22)1218h2457101213H361114H21H3p+1
N(3CHLOROPHENYL)2(3(4METHYLPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)ACETAMIDE
O=C(Cn1cc((n+)2c1CCC2)c1ccc(cc1)C)Nc1cccc(c1)Cl
ZINC000016955866
ZINC16955866
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