Vitas-M small molecule compound

methyl 3-{[N-(2,6-dimethylphenyl)-N-(methylsulfonyl)glycyl]amino}-4-methylbenzoate

Catalog ID
STK878656
SMILES COC(=O)c1ccc(c(c1)NC(=O)CN(S(=O)(=O)C)c1c(C)cccc1C)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 C20H24N2O5S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O5S/c1-13-9-10-16(20(24)27-4)11-17(13)21-18(23)12-22(28(5,25)26)19-14(2)7-6-8-15(19)3/h6-11H,12H2,1-5H3,(H,21,23)
InChIKey
QACISLAWZCCHGD-UHFFFAOYSA-N
Synonyms

CC1=C(C(=CC=C1)C)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C
InChI=1SC20H24N2O5Sc11391016(20(24)274)1117(13)2118(23)1222(28(525)26)1914(2)76815(19)3h611H12H215H3(H2123)
METHYL3((2(26DIMETHYLNMETHYLSULFONYLANILINO)ACETYL)AMINO)4METHYLBENZOATE
methyl3((N(26dimethylphenyl)N(methylsulfonyl)glycyl)amino)4methylbenzoate
MFCD03143517
ZINC000001149349
ZINC01149349
ZINC1149349

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Available files

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