Vitas-M small molecule compound
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL322341
SMILES COc1ccc(cc1)c1c[n+](c2n1CCCCC2)CC(=O)c1ccc(cc1)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 C23H24BrN2O2 MW 440.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrN2O2/c1-28-20-12-8-17(9-13-20)21-15-25(23-5-3-2-4-14-26(21)23)16-22(27)18-6-10-19(24)11-7-18/h6-13,15H,2-5,14,16H2,1H3/q+1InChIKey
WOGUAZBXQAMHIB-UHFFFAOYSA-NSynonyms
1(2(4bromophenyl)2oxoethyl)3(4methoxyphenyl)6789tetrahydro5Himidazo(12a)azepin1ium
1(4bromophenyl)2(3(4methoxyphenyl)6789tetrahydro5Himidazo(12a)azepin1ium1yl)ethanone
COC1=CC=C(C=C1)C2=C(N+)(=C3N2CCCCC3)CC(=O)C4=CC=C(C=C4)Br
COc1ccc(cc1)c1c(n+)(c2n1CCCCC2)CC(=O)c1ccc(cc1)Br
InChI=1SC23H24BrN2O2c1282012817(91320)211525(2353241426(21)23)1622(27)1861019(24)11718h61315H251416H21H3q+1
MFCD00808625
ZINC000001782578
ZINC01782578
ZINC1782578
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