Vitas-M small molecule compound
[(4-chlorophenyl)sulfonyl][3-(3-ethyl-1H-imidazol-3-ium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]azanide
Catalog ID
STL037911
SMILES CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(cc2)Cl)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 C21H16ClN3O4S MW 441.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O4S/c1-2-24-11-12-25(13-24)19-18(20(26)16-5-3-4-6-17(16)21(19)27)23-30(28,29)15-9-7-14(22)8-10-15/h3-13H,2H2,1H3InChIKey
GRZDORVAEBLMSC-UHFFFAOYSA-NSynonyms
((4chlorophenyl)sulfonyl)(3(3ethyl1Himidazol3ium1yl)14dioxo14dihydronaphthalen2yl)azanide
3(((4CHLOROPHENYL)SULFONYL)IMINO)2(3ETHYL1HIMIDAZOL3IUM1YL)4OXO34DIHYDRONAPHTHALEN1OLATE
3(4CHLOROPHENYL)SULFONYLIMINO2(3ETHYLIMIDAZOL3IUM1YL)4OXONAPHTHALEN1OLATE
CC(N+)1=CN(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=C(C=C4)Cl)(O)
CC(n+)1ccn(c1)C1=C((N)S(=O)(=O)c2ccc(cc2)Cl)C(=O)c2c(C1=O)cccc2
InChI=1SC21H16ClN3O4Sc1224111225(1324)1918(20(26)16534617(16)21(19)27)2330(2829)159714(22)81015h313H2H21H3
MFCD03816530
ZINC000013801505
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