Vitas-M small molecule compound
1-(4-bromophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL322935
SMILES COc1ccc(cc1)C1(O)CN2C(=[N+]1c1ccc(cc1)Br)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 C21H24BrN2O2 MW 416.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrN2O2/c1-26-19-12-6-16(7-13-19)21(25)15-23-14-4-2-3-5-20(23)24(21)18-10-8-17(22)9-11-18/h6-13,25H,2-5,14-15H2,1H3/q+1InChIKey
BIRFNOUSCKMMDJ-UHFFFAOYSA-NSynonyms
1(4bromophenyl)2(4methoxyphenyl)356789hexahydroimidazo(12a)azepin4ium2ol
1(4bromophenyl)2hydroxy2(4methoxyphenyl)256789hexahydro3Himidazo(12a)azepin1ium
1(4bromophenyl)2hydroxy2(4methoxyphenyl)356789hexahydro2Himidazo(12a)azepin1iumbromide
COC1=CC=C(C=C1)C2(C(N+)3=C(N2C4=CC=C(C=C4)Br)CCCCC3)O
COc1ccc(cc1)C1(O)CN2C(=(N+)1c1ccc(cc1)Br)CCCCC2
COc1ccc(cc1)C1(O)CN2C(=(N+)1c1ccc(cc1)Br)CCCCC2(Br)
InChI=1SC21H24BrN2O2c1261912616(71319)21(25)152314423520(23)24(21)1810817(22)91118h61325H251415H21H3q+1
MFCD01037818
ZINC000013739039
ZINC000013739040
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