Vitas-M small molecule compound

3-(4-methylphenyl)-1-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium

Catalog ID
STL050294
SMILES Cc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)N1c2ccccc2Sc2c1cccc2

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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 C27H24N3OS MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N3OS/c1-19-12-14-20(15-13-19)23-17-28(26-11-6-16-29(23)26)18-27(31)30-21-7-2-4-9-24(21)32-25-10-5-3-8-22(25)30/h2-5,7-10,12-15,17H,6,11,16,18H2,1H3/q+1
InChIKey
RPGOXHQIGQMAPM-UHFFFAOYSA-N
Synonyms

2(3(4METHYLPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)1PHENOTHIAZIN10YLETHANONE
3(4methylphenyl)1(2oxo2(10Hphenothiazin10yl)ethyl)1567tetrahydropyrrolo(12a)imidazol4ium
CC1=CC=C(C=C1)C2=C(N+)(=C3N2CCC3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64
Cc1ccc(cc1)c1cn(c2(n+)1CCC2)CC(=O)N1c2ccccc2Sc2c1cccc2
InChI=1SC27H24N3OSc119121420(151319)231728(261161629(23)26)1827(31)3021724924(21)32251053822(25)30h25710121517H6111618H21H3q+1
ZINC000017246858
ZINC17246858

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Available files

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