Vitas-M small molecule compound
ethyl N-(4-{[4-(carbamimidoylsulfamoyl)phenyl]amino}-4-oxobutanoyl)-4-nitrophenylalaninate
Catalog ID
STK056140
SMILES CCOC(=O)C(Cc1ccc(cc1)[N+](=O)[O-])NC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=N)N
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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 C22H26N6O8S MW 534.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O8S/c1-2-36-21(31)18(13-14-3-7-16(8-4-14)28(32)33)26-20(30)12-11-19(29)25-15-5-9-17(10-6-15)37(34,35)27-22(23)24/h3-10,18H,2,11-13H2,1H3,(H,25,29)(H,26,30)(H4,23,24,27)InChIKey
KCWWWNQJLNQTHO-UHFFFAOYSA-NSynonyms
1214708-71-01214708710
CCOC(=O)C(CC1=CC=C(C=C1)(N+)(=O)(O))NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N
CCOC(=O)C(Cc1ccc(cc1)(N+)(=O)(O))NC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=N)N
ETHYL2((4(4(DIAMINOMETHYLIDENEAMINO)SULFONYLANILINO)4OXOBUTANOYL)AMINO)3(4NITROPHENYL)PROPANOATE
ethyl2(4((4(Ncarbamimidoylsulfamoyl)phenyl)amino)4oxobutanamido)3(4nitrophenyl)propanoate
ETHYLN(4((4(CARBAMIMIDOYLSULFAMOYL)PHENYL)AMINO)4OXOBUTANOYL)4NITROPHENYLALANINATE
InChI=1SC22H26N6O8Sc123621(31)18(13143716(8414)28(32)33)2620(30)121119(29)25155917(10615)37(3435)2722(23)24h31018H21113H21H3(H2529)(H2630)(H4232427)
MFCD01558364
STK056140
ZINC000097949589
ZINC000097949590
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.