Vitas-M small molecule compound

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

Catalog ID
STL056148
SMILES CCCCCCCn1c[n+](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 C28H28BrN5O2S MW 578.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrN5O2S/c1-2-3-4-5-10-19-33-20-34(26-14-9-8-13-25(26)33)28-27(30-23-11-6-7-12-24(23)31-28)32-37(35,36)22-17-15-21(29)16-18-22/h6-9,11-18,20H,2-5,10,19H2,1H3
InChIKey
MKPBUMFZQHHHRT-UHFFFAOYSA-N
Synonyms

((4bromophenyl)sulfonyl)(3(1heptyl1H31benzimidazol3ium3yl)quinoxalin2yl)azanide
((4bromophenyl)sulfonyl)(3(1heptyl1Hbenzo(d)imidazol3ium3yl)quinoxalin2yl)amide
((4BROMOPHENYL)SULFONYL)(3(3HEPTYL1HBENZIMIDAZOL3IUM1YL)QUINOXALIN2YL)AZANIDE
(4BROMOPHENYL)SULFONYL(3(3HEPTYLBENZIMIDAZOL3IUM1YL)QUINOXALIN2YL)AZANIDE
CCCCCCC(N+)1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3(N)S(=O)(=O)C5=CC=C(C=C5)Br
CCCCCCCn1c(n+)(c2c1cccc2)c1nc2ccccc2nc1(N)S(=O)(=O)c1ccc(cc1)Br
InChI=1SC28H28BrN5O2Sc123451019332034(2614981325(26)33)2827(302311671224(23)3128)3237(3536)22171521(29)161822h69111820H251019H21H3
MFCD02986502
ZINC000334157032
ZINC01869598

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Available files

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