Vitas-M small molecule compound
3-(3,4-dichlorophenyl)-1-(2-{[4-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Catalog ID
STL042949
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)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 C22H20Cl2N3O3 MW 445.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl2N3O3/c1-30-22(29)14-4-7-16(8-5-14)25-20(28)13-26-12-19(27-10-2-3-21(26)27)15-6-9-17(23)18(24)11-15/h4-9,11-12H,2-3,10,13H2,1H3/p+1InChIKey
FAJZBHXSGOOZPL-UHFFFAOYSA-OSynonyms
3(34dichlorophenyl)1(2((4(methoxycarbonyl)phenyl)amino)2oxoethyl)1567tetrahydropyrrolo(12a)imidazol4ium
COC(=O)C1=CC=C(C=C1)NC(=O)C(N+)2=C3CCCN3C(=C2)C4=CC(=C(C=C4)Cl)Cl
COC(=O)c1ccc(cc1)NC(=O)Cn1cc((n+)2c1CCC2)c1ccc(c(c1)Cl)Cl
InChI=1SC22H19Cl2N3O3c13022(29)144716(8514)2520(28)13261219(27102321(26)27)156917(23)18(24)1115h491112H231013H21H3p+1
METHYL4((2(3(34DICHLOROPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)ACETYL)AMINO)BENZOATE
ZINC000013786289
ZINC13786289
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