Vitas-M small molecule compound
2-hydroxy-1-(4-methoxyphenyl)-2-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL320705
SMILES COc1ccc(cc1)[N+]1=C2CCCCCN2CC1(O)c1ccccc1
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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 C21H25N2O2 MW 337.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N2O2/c1-25-19-13-11-18(12-14-19)23-20-10-6-3-7-15-22(20)16-21(23,24)17-8-4-2-5-9-17/h2,4-5,8-9,11-14,24H,3,6-7,10,15-16H2,1H3/q+1InChIKey
SHRWABYQRRBDDV-UHFFFAOYSA-NSynonyms
1(4methoxyphenyl)2phenyl356789hexahydroimidazo(12a)azepin4ium2ol
2hydroxy1(4methoxyphenyl)2phenyl256789hexahydro3Himidazo(12a)azepin1ium
2hydroxy1(4methoxyphenyl)2phenyl356789hexahydro2Himidazo(12a)azepin1iumbromide
COC1=CC=C(C=C1)N2C3=(N+)(CCCCC3)CC2(C4=CC=CC=C4)O
COc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1ccccc1
COc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1ccccc1(Br)
InChI=1SC21H25N2O2c12519131118(121419)2320106371522(20)1621(2324)178425917h24589111424H367101516H21H3q+1
MFCD00702617
ZINC000013301150
ZINC000013301153
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