Vitas-M small molecule compound
3-(2-fluoro-4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL264943
SMILES COc1ccc(c(c1)F)c1c[n+](c2n1CCCCC2)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 C21H22FN2O MW 337.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN2O/c1-25-17-11-12-18(19(22)14-17)20-15-24(16-8-4-2-5-9-16)21-10-6-3-7-13-23(20)21/h2,4-5,8-9,11-12,14-15H,3,6-7,10,13H2,1H3/q+1InChIKey
RNNSMTSXVPASSH-UHFFFAOYSA-NSynonyms
2FLUORO4METHOXY1(1PHENYL(5H6H7H8H9HIMIDAZO(12A)AZAPERHYDROEPIN3YL))BENZENE
3(2fluoro4methoxyphenyl)1phenyl6789tetrahydro5Himidazo(12a)azepin1ium
3(2fluoro4methoxyphenyl)1phenyl6789tetrahydro5Himidazo(12a)azepin4ium
COC1=CC(=C(C=C1)C2=CN(C3=(N+)2CCCCC3)C4=CC=CC=C4)F
COc1ccc(c(c1)F)c1c(n+)(c2n1CCCCC2)c1ccccc1
InChI=1SC21H22FN2Oc12517111218(19(22)1417)201524(168425916)21106371323(20)21h2458911121415H3671013H21H3q+1
ZINC000027788653
ZINC27788653
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