Vitas-M small molecule compound

[(4-bromophenyl)sulfonyl][3-(3-hexyl-1H-benzimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide

Catalog ID
STL046248
SMILES CCCCCC[n+]1cn(c2c1cccc2)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(cc1)Br

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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 C27H26BrN5O2S MW 564.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN5O2S/c1-2-3-4-9-18-32-19-33(25-13-8-7-12-24(25)32)27-26(29-22-10-5-6-11-23(22)30-27)31-36(34,35)21-16-14-20(28)15-17-21/h5-8,10-17,19H,2-4,9,18H2,1H3
InChIKey
YNXKAJASLGMIEU-UHFFFAOYSA-N
Synonyms

((4bromophenyl)sulfonyl)(3(3hexyl1Hbenzimidazol3ium1yl)quinoxalin2yl)azanide
(4BROMOPHENYL)SULFONYL(3(3HEXYLBENZIMIDAZOL3IUM1YL)QUINOXALIN2YL)AZANIDE
CCCCCC(N+)1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3(N)S(=O)(=O)C5=CC=C(C=C5)Br
CCCCCC(n+)1cn(c2c1cccc2)c1nc2ccccc2nc1(N)S(=O)(=O)c1ccc(cc1)Br
InChI=1SC27H26BrN5O2Sc1234918321933(2513871224(25)32)2726(292210561123(22)3027)3136(3435)21161420(28)151721h58101719H24918H21H3
MFCD03815184
ZINC000334157031

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Available files

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