Vitas-M small molecule compound
1-{2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}-3-(4-methoxyphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Catalog ID
STL052377
SMILES COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)Nc1c(Cl)cccc1Cl
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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 C21H20Cl2N3O2 MW 417.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N3O2/c1-28-15-9-7-14(8-10-15)18-12-25(20-6-3-11-26(18)20)13-19(27)24-21-16(22)4-2-5-17(21)23/h2,4-5,7-10,12H,3,6,11,13H2,1H3/p+1InChIKey
GQZYHAOLSPJPIE-UHFFFAOYSA-OSynonyms
1(2((26dichlorophenyl)amino)2oxoethyl)3(4methoxyphenyl)1567tetrahydropyrrolo(12a)imidazol4ium
COC1=CC=C(C=C1)C2=C(N+)(=C3N2CCC3)CC(=O)NC4=C(C=CC=C4Cl)Cl
COc1ccc(cc1)c1cn(c2(n+)1CCC2)CC(=O)Nc1c(Cl)cccc1Cl
InChI=1SC21H19Cl2N3O2c128159714(81015)181225(20631126(18)20)1319(27)242116(22)42517(21)23h24571012H361113H21H3p+1
N(26DICHLOROPHENYL)2(3(4METHOXYPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)ACETAMIDE
ZINC000013769090
ZINC13769090
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