Vitas-M small molecule compound
[(4-chlorophenyl)sulfonyl][3-(3-methyl-1H-imidazol-3-ium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]azanide
Catalog ID
STK562229
SMILES Clc1ccc(cc1)S(=O)(=O)[N-]C1=C(n2cc[n+](c2)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 C20H14ClN3O4S MW 427.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN3O4S/c1-23-10-11-24(12-23)18-17(19(25)15-4-2-3-5-16(15)20(18)26)22-29(27,28)14-8-6-13(21)7-9-14/h2-12H,1H3InChIKey
KXNUAQVGRMHPRT-UHFFFAOYSA-NSynonyms
((4chlorophenyl)sulfonyl)(3(3methyl1Himidazol3ium1yl)14dioxo14dihydronaphthalen2yl)azanide
3(4CHLOROPHENYL)SULFONYLIMINO2(3METHYLIMIDAZOL3IUM1YL)4OXONAPHTHALEN1OLATE
C(N+)1=CN(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=C(C=C4)Cl)(O)
Clc1ccc(cc1)S(=O)(=O)(N)C1=C(n2cc(n+)(c2)C)C(=O)c2c(C1=O)cccc2
InChI=1SC20H14ClN3O4Sc123101124(1223)1817(19(25)15423516(15)20(18)26)2229(2728)148613(21)7914h212H1H3
MFCD03809469
ZINC000013810351
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