Vitas-M small molecule compound
2-hydroxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STK984501
SMILES COc1ccc(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 C22H27N2O2 MW 351.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N2O2/c1-17-7-9-18(10-8-17)22(25)16-23-15-5-3-4-6-21(23)24(22)19-11-13-20(26-2)14-12-19/h7-14,25H,3-6,15-16H2,1-2H3/q+1InChIKey
NIZLXWLHFHSLKE-UHFFFAOYSA-NSynonyms
1(4methoxyphenyl)2(4methylphenyl)356789hexahydroimidazo(12a)azepin4ium2ol
2hydroxy1(4methoxyphenyl)2(4methylphenyl)256789hexahydro3Himidazo(12a)azepin1ium
2hydroxy1(4methoxyphenyl)2(ptolyl)356789hexahydro2Himidazo(12a)azepin1iumbromide
CC1=CC=C(C=C1)C2(C(N+)3=C(N2C4=CC=C(C=C4)OC)CCCCC3)O
COc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1ccc(cc1)C
COc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1ccc(cc1)C(Br)
InChI=1SC22H27N2O2c1177918(10817)22(25)162315534621(23)24(22)19111320(262)141219h71425H361516H212H3q+1
MFCD01037776
ZINC000013756316
ZINC000013756318
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