Vitas-M small molecule compound
1-(2,4-dichlorobenzyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
Catalog ID
STL281743
SMILES Clc1ccc(c(c1)Cl)C[n+]1cc(n2c1CCCCC2)c1ccccc1.[Br-]
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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 C21H21BrCl2N2 MW 452.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N2.BrH/c22-18-11-10-17(19(23)13-18)14-24-15-20(16-7-3-1-4-8-16)25-12-6-2-5-9-21(24)25;/h1,3-4,7-8,10-11,13,15H,2,5-6,9,12,14H2;1H/q+1;/p-1InChIKey
MONZVJQEZDDRBA-UHFFFAOYSA-MSynonyms
400856-69-11((24dichlorophenyl)methyl)3phenyl6789tetrahydro5Himidazo(12a)azepin1iumbromide
1(24dichlorobenzyl)3phenyl6789tetrahydro5Himidazo(12a)azepin1iumbromide
400856691
C1CCC2=(N+)(C=C(N2CC1)C3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl(Br)
Clc1ccc(c(c1)Cl)C(n+)1cc(n2c1CCCCC2)c1ccccc1(Br)
InChI=1SC21H21Cl2N2BrHc2218111017(19(23)1318)14241520(167314816)2512625921(24)25h1347810111315H25691214H21Hq+1p1
MFCD00519976
ZINC000001497977
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