Vitas-M small molecule compound
2-(4-ethoxyphenyl)-2-hydroxy-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL298361
SMILES CCOc1ccc(cc1)C1(O)CN2C(=[N+]1c1ccccc1)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 C22H27N2O2 MW 351.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N2O2/c1-2-26-20-14-12-18(13-15-20)22(25)17-23-16-8-4-7-11-21(23)24(22)19-9-5-3-6-10-19/h3,5-6,9-10,12-15,25H,2,4,7-8,11,16-17H2,1H3/q+1InChIKey
YYPWDRNTNHDQPY-UHFFFAOYSA-NSynonyms
2(4ethoxyphenyl)1phenyl356789hexahydroimidazo(12a)azepin4ium2ol
2(4ethoxyphenyl)2hydroxy1phenyl256789hexahydro3Himidazo(12a)azepin1ium
2(4ethoxyphenyl)2hydroxy1phenyl356789hexahydro2Himidazo(12a)azepin1iumbromide
CCOC1=CC=C(C=C1)C2(C(N+)3=C(N2C4=CC=CC=C4)CCCCC3)O
CCOc1ccc(cc1)C1(O)CN2C(=(N+)1c1ccccc1)CCCCC2
CCOc1ccc(cc1)C1(O)CN2C(=(N+)1c1ccccc1)CCCCC2(Br)
InChI=1SC22H27N2O2c122620141218(131520)22(25)1723168471121(23)24(22)1995361019h356910121525H2478111617H21H3q+1
MFCD01037740
ZINC000000627252
ZINC000000627253
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