Vitas-M small molecule compound

ethyl O-methyl-3-nitro-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate

Catalog ID
STK701255
SMILES CCOC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])OC)NC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)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 C22H26N4O9S MW 522.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O9S/c1-3-35-22(29)17(12-14-4-9-19(34-2)18(13-14)26(30)31)25-21(28)11-10-20(27)24-15-5-7-16(8-6-15)36(23,32)33/h4-9,13,17H,3,10-12H2,1-2H3,(H,24,27)(H,25,28)(H2,23,32,33)
InChIKey
FPZZBIRUHAZKFV-UHFFFAOYSA-N
Synonyms
161389-04-4
161389044
CCOC(=O)C(CC1=CC(=C(C=C1)OC)(N+)(=O)(O))NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
CCOC(=O)C(Cc1ccc(c(c1)(N+)(=O)(O))OC)NC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N
ETHYL3(4METHOXY3NITROPHENYL)2((4OXO4(4SULFAMOYLANILINO)BUTANOYL)AMINO)PROPANOATE
ethyl3(4methoxy3nitrophenyl)2(4oxo4((4sulfamoylphenyl)amino)butanamido)propanoate
ethylOmethyl3nitroN(4oxo4((4sulfamoylphenyl)amino)butanoyl)tyrosinate
InChI=1SC22H26N4O9Sc133522(29)17(12144919(342)18(1314)26(30)31)2521(28)111020(27)24155716(8615)36(2332)33h491317H31012H212H3(H2427)(H2528)(H2233233)
MFCD00507728
ZINC000006547592
ZINC000006547769

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.