Vitas-M small molecule compound
[3-(3-butyl-1H-imidazol-3-ium-1-yl)quinoxalin-2-yl](phenylsulfonyl)azanide
Catalog ID
STL037772
SMILES CCCC[n+]1ccn(c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1
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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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-2-3-13-25-14-15-26(16-25)21-20(22-18-11-7-8-12-19(18)23-21)24-29(27,28)17-9-5-4-6-10-17/h4-12,14-16H,2-3,13H2,1H3InChIKey
DLGXICBALSTXSJ-UHFFFAOYSA-NSynonyms
(3(3butyl1Himidazol3ium1yl)quinoxalin2yl)(phenylsulfonyl)azanide
BENZENESULFONYL(3(3BUTYLIMIDAZOL3IUM1YL)QUINOXALIN2YL)AZANIDE
CCCC(N+)1=CN(C=C1)C2=NC3=CC=CC=C3N=C2(N)S(=O)(=O)C4=CC=CC=C4
CCCC(n+)1ccn(c1)c1nc2ccccc2nc1(N)S(=O)(=O)c1ccccc1
InChI=1SC21H21N5O2Sc1231325141526(1625)2120(221811781219(18)2321)2429(2728)1795461017h4121416H2313H21H3
MFCD03806977
ZINC000334156999
ZINC08683539
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