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Vitas-M small molecule compound

octyl beta-hydroxy-N-{4-oxo-4-[(4-sulfamoylphenyl)amino]butanoyl}phenylalaninate

Catalog ID
STL299934
SMILES CCCCCCCCOC(=O)C(C(c1ccccc1)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 C27H37N3O7S MW 547.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37N3O7S/c1-2-3-4-5-6-10-19-37-27(34)25(26(33)20-11-8-7-9-12-20)30-24(32)18-17-23(31)29-21-13-15-22(16-14-21)38(28,35)36/h7-9,11-16,25-26,33H,2-6,10,17-19H2,1H3,(H,29,31)(H,30,32)(H2,28,35,36)
InChIKey
BUJQWGJSJATKQK-UHFFFAOYSA-N
Synonyms
1214710-73-2
1214710732
2((14DIOXO4(4SULFAMOYLANILINO)BUTYL)AMINO)3HYDROXY3PHENYLPROPANOICACIDOCTYLESTER
3HYDROXY2((4KETO4(4SULFAMOYLANILINO)BUTANOYL)AMINO)3PHENYLPROPIONICACIDOCTYLESTER
3HYDROXY3PHENYL2(3(4SULFAMOYLPHENYLCARBAMOYL)PROPIONYLAMINO)PROPIONICACIDOCTYLESTER
CCCCCCCCOC(=O)C(C(C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI=1SC27H37N3O7Sc12345610193727(34)25(26(33)20118791220)3024(32)181723(31)2921131522(161421)38(2835)36h791116252633H26101719H21H3(H2931)(H3032)(H2283536)
MFCD00507724
OCTYL3HYDROXY2((4OXO4(4SULFAMOYLANILINO)BUTANOYL)AMINO)3PHENYLPROPANOATE
octyl3hydroxy2(4oxo4((4sulfamoylphenyl)amino)butanamido)3phenylpropanoate
OCTYL3OXIDANYL2((4OXIDANYLIDENE4((4SULFAMOYLPHENYL)AMINO)BUTANOYL)AMINO)3PHENYLPROPANOATE
octylbetahydroxyN(4oxo4((4sulfamoylphenyl)amino)butanoyl)phenylalaninate
ZINC000008686164
ZINC000008686169

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Available files

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