Vitas-M small molecule compound

methyl 2-{[N-(4-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]sulfonyl}glycyl]amino}benzoate

Catalog ID
STL123611
SMILES COC(=O)c1ccccc1NC(=O)CN(S(=O)(=O)c1ccc(cc1)SC)c1ccc(cc1)C

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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 C24H24N2O5S2 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O5S2/c1-17-8-10-18(11-9-17)26(33(29,30)20-14-12-19(32-3)13-15-20)16-23(27)25-22-7-5-4-6-21(22)24(28)31-2/h4-15H,16H2,1-3H3,(H,25,27)
InChIKey
RUSUMFCOLPCDLM-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)SC
InChI=1SC24H24N2O5S2c11781018(11917)26(33(2930)20141219(323)131520)1623(27)2522754621(22)24(28)312h415H16H213H3(H2527)
METHYL2((2(4METHYLN(4METHYLSULFANYLPHENYL)SULFONYLANILINO)ACETYL)AMINO)BENZOATE
methyl2((N(4methylphenyl)N((4(methylsulfanyl)phenyl)sulfonyl)glycyl)amino)benzoate
MFCD02219006
ZINC000001198096
ZINC01198096
ZINC1198096

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Available files

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