Vitas-M small molecule compound
{[4-(acetylamino)phenyl]sulfonyl}[3-(3-butyl-1H-imidazol-3-ium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]azanide
Catalog ID
STK566646
SMILES CCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(cc2)NC(=O)C)C(=O)c2c(C1=O)cccc2
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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 C25H24N4O5S MW 492.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5S/c1-3-4-13-28-14-15-29(16-28)23-22(24(31)20-7-5-6-8-21(20)25(23)32)27-35(33,34)19-11-9-18(10-12-19)26-17(2)30/h5-12,14-16H,3-4,13H2,1-2H3,(H-,26,27,30,32)InChIKey
RDOSSBJAGFBFMH-UHFFFAOYSA-NSynonyms
1262982-21-7((4(acetylamino)phenyl)sulfonyl)(3(3butyl1Himidazol3ium1yl)14dioxo14dihydronaphthalen2yl)azanide
1262982217
3(((4(ACETYLAMINO)PHENYL)SULFONYL)IMINO)2(3BUTYL1HIMIDAZOL3IUM1YL)4OXO34DIHYDRONAPHTHALEN1OLATE
3(4ACETAMIDOPHENYL)SULFONYLIMINO2(3BUTYLIMIDAZOL3IUM1YL)4OXONAPHTHALEN1OLATE
CCCC(N+)1=CN(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C)(O)
CCCC(n+)1ccn(c1)C1=C((N)S(=O)(=O)c2ccc(cc2)NC(=O)C)C(=O)c2c(C1=O)cccc2
InChI=1SC25H24N4O5Sc1341328141529(1628)2322(24(31)20756821(20)25(23)32)2735(3334)1911918(101219)2617(2)30h5121416H3413H212H3(H26273032)
MFCD03805162
ZINC000013563551
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