Vitas-M small molecule compound
1-(4-fluorobenzyl)-3-(4-methoxyphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Catalog ID
STL057877
SMILES COc1ccc(cc1)c1cn(c2[n+]1CCC2)Cc1ccc(cc1)F
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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 C20H20FN2O MW 323.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN2O/c1-24-18-10-6-16(7-11-18)19-14-22(20-3-2-12-23(19)20)13-15-4-8-17(21)9-5-15/h4-11,14H,2-3,12-13H2,1H3/q+1InChIKey
XPBVJCAQGUOBPY-UHFFFAOYSA-NSynonyms
1((4FLUOROPHENYL)METHYL)3(4METHOXYPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM
1(4fluorobenzyl)3(4methoxyphenyl)1567tetrahydropyrrolo(12a)imidazol4ium
COC1=CC=C(C=C1)C2=C(N+)(=C3N2CCC3)CC4=CC=C(C=C4)F
COc1ccc(cc1)c1cn(c2(n+)1CCC2)Cc1ccc(cc1)F
InChI=1SC20H20FN2Oc1241810616(71118)191422(20321223(19)20)13154817(21)9515h41114H231213H21H3q+1
ZINC000017248580
ZINC17248580
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