Vitas-M small molecule compound
3-(4-chlorophenyl)-1-[2-(3-nitrophenyl)-2-oxoethyl]-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Catalog ID
STL042941
SMILES Clc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C20H17ClN3O3 MW 382.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN3O3/c21-16-8-6-14(7-9-16)18-12-22(20-5-2-10-23(18)20)13-19(25)15-3-1-4-17(11-15)24(26)27/h1,3-4,6-9,11-12H,2,5,10,13H2/q+1InChIKey
PKGUZQJBKYGDFJ-UHFFFAOYSA-NSynonyms
2(3(4CHLOROPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)1(3NITROPHENYL)ETHANONE
3(4chlorophenyl)1(2(3nitrophenyl)2oxoethyl)1567tetrahydropyrrolo(12a)imidazol4ium
C1CC2=(N+)(C=C(N2C1)C3=CC=C(C=C3)Cl)CC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
Clc1ccc(cc1)c1cn(c2(n+)1CCC2)CC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H17ClN3O3c21168614(7916)181222(20521023(18)20)1319(25)1531417(1115)24(26)27h134691112H251013H2q+1
ZINC000013786983
ZINC13786983
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