Vitas-M small molecule compound

methyl N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}tyrosinate

Catalog ID
STL299935
SMILES COC(=O)C(Cc1ccc(cc1)O)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 C20H23N3O7S MW 449.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O7S/c1-30-20(27)17(12-13-2-6-15(24)7-3-13)23-19(26)11-10-18(25)22-14-4-8-16(9-5-14)31(21,28)29/h2-9,17,24H,10-12H2,1H3,(H,22,25)(H,23,26)(H2,21,28,29)
InChIKey
NVKOWLVSRGVSNC-UHFFFAOYSA-N
Synonyms

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI=1SC20H23N3O7Sc13020(27)17(12132615(24)7313)2319(26)111018(25)22144816(9514)31(2128)29h291724H1012H21H3(H2225)(H2326)(H2212829)
METHYL3(4HYDROXYPHENYL)2((4OXO4(4SULFAMOYLANILINO)BUTANOYL)AMINO)PROPANOATE
methyl3(4hydroxyphenyl)2(4oxo4((4sulfamoylphenyl)amino)butanamido)propanoate
methylN(4oxo4((4sulfamoylphenyl)amino)butanoyl)tyrosinate
MFCD00507731
ZINC000002250704
ZINC000002250705

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Available files

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