Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-2-hydroxy-1,2,3,5,6,7,8,9-octahydroimidazo[1,2-a]azepin-4-ium
Catalog ID
STL045930
SMILES Brc1ccc(cc1)C1(O)C[N+]2=C(N1c1ccc3c(c1)OCO3)CCCCC2
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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 C21H22BrN2O3 MW 430.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN2O3/c22-16-7-5-15(6-8-16)21(25)13-23-11-3-1-2-4-20(23)24(21)17-9-10-18-19(12-17)27-14-26-18/h5-10,12,25H,1-4,11,13-14H2/q+1InChIKey
HWASZKFFFPILFJ-UHFFFAOYSA-NSynonyms
1(13benzodioxol5yl)2(4bromophenyl)2hydroxy12356789octahydroimidazo(12a)azepin4ium
1(13benzodioxol5yl)2(4bromophenyl)356789hexahydroimidazo(12a)azepin4ium2ol
Brc1ccc(cc1)C1(O)C(N+)2=C(N1c1ccc3c(c1)OCO3)CCCCC2
C1CCC2=(N+)(CC1)CC(N2C3=CC4=C(C=C3)OCO4)(C5=CC=C(C=C5)Br)O
InChI=1SC21H22BrN2O3c22167515(6816)21(25)132311312420(23)24(21)179101819(1217)27142618h5101225H14111314H2q+1
ZINC000017160364
ZINC000017160367
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