Vitas-M small molecule compound

[(4-bromophenyl)sulfonyl]{3-[3-(3-methylbutyl)-1H-imidazol-3-ium-1-yl]quinoxalin-2-yl}azanide

Catalog ID
STK563106
SMILES CC(CC[n+]1ccn(c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(cc1)Br)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 C22H22BrN5O2S MW 500.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN5O2S/c1-16(2)11-12-27-13-14-28(15-27)22-21(24-19-5-3-4-6-20(19)25-22)26-31(29,30)18-9-7-17(23)8-10-18/h3-10,13-16H,11-12H2,1-2H3
InChIKey
CLAPDBCLEMMQBS-UHFFFAOYSA-N
Synonyms

((4bromophenyl)sulfonyl)(3(3(3methylbutyl)1Himidazol3ium1yl)quinoxalin2yl)azanide
(4BROMOPHENYL)SULFONYL(3(3(3METHYLBUTYL)IMIDAZOL3IUM1YL)QUINOXALIN2YL)AZANIDE
CC(C)CC(N+)1=CN(C=C1)C2=NC3=CC=CC=C3N=C2(N)S(=O)(=O)C4=CC=C(C=C4)Br
CC(CC(n+)1ccn(c1)c1nc2ccccc2nc1(N)S(=O)(=O)c1ccc(cc1)Br)C
InChI=1SC22H22BrN5O2Sc116(2)111227131428(1527)2221(2419534620(19)2522)2631(2930)189717(23)81018h3101316H1112H212H3
MFCD03811922
ZINC000334157020

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Available files

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