Vitas-M small molecule compound
{3-[3-(3-methylbutyl)-1H-imidazol-3-ium-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]azanide
Catalog ID
STL046787
SMILES CC(CC[n+]1ccn(c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(cc1)C)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 C23H25N5O2S MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O2S/c1-17(2)12-13-27-14-15-28(16-27)23-22(24-20-6-4-5-7-21(20)25-23)26-31(29,30)19-10-8-18(3)9-11-19/h4-11,14-17H,12-13H2,1-3H3InChIKey
PPTRFFFOCKTEGG-UHFFFAOYSA-NSynonyms
(3(3(3methylbutyl)1Himidazol3ium1yl)quinoxalin2yl)((4methylphenyl)sulfonyl)azanide
(3(3(3METHYLBUTYL)IMIDAZOL3IUM1YL)QUINOXALIN2YL)(4METHYLPHENYL)SULFONYLAZANIDE
CC(CC(n+)1ccn(c1)c1nc2ccccc2nc1(N)S(=O)(=O)c1ccc(cc1)C)C
CC1=CC=C(C=C1)S(=O)(=O)(N)C2=NC3=CC=CC=C3N=C2N4C=C(N+)(=C4)CCC(C)C
InChI=1SC23H25N5O2Sc117(2)121327141528(1627)2322(2420645721(20)2523)2631(2930)1910818(3)91119h4111417H1213H213H3
MFCD03807722
ZINC000334157008
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