Vitas-M small molecule compound
2-hydroxy-1,2-bis(4-methylphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL321321
SMILES Cc1ccc(cc1)[N+]1=C2CCCCCN2CC1(O)c1ccc(cc1)C
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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 C22H27N2O MW 335.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N2O/c1-17-7-11-19(12-8-17)22(25)16-23-15-5-3-4-6-21(23)24(22)20-13-9-18(2)10-14-20/h7-14,25H,3-6,15-16H2,1-2H3/q+1InChIKey
LUQRDFCAWSXCMR-UHFFFAOYSA-NSynonyms
12bis(4methylphenyl)356789hexahydroimidazo(12a)azepin4ium2ol
2hydroxy12bis(4methylphenyl)256789hexahydro3Himidazo(12a)azepin1ium
2hydroxy12diptolyl356789hexahydro2Himidazo(12a)azepin1iumbromide
CC1=CC=C(C=C1)C2(C(N+)3=C(N2C4=CC=C(C=C4)C)CCCCC3)O
Cc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1ccc(cc1)C
Cc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1ccc(cc1)C(Br)
InChI=1SC22H27N2Oc11771119(12817)22(25)162315534621(23)24(22)2013918(2)101420h71425H361516H212H3q+1
MFCD01037933
ZINC000013301755
ZINC000013301757
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