Vitas-M small molecule compound

N-(butan-2-yl)-2-{[N-(3,5-dimethylphenyl)-N-(methylsulfonyl)alanyl]amino}benzamide

Catalog ID
STL087401
SMILES CCC(NC(=O)c1ccccc1NC(=O)C(N(S(=O)(=O)C)c1cc(C)cc(c1)C)C)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 C23H31N3O4S MW 445.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O4S/c1-7-17(4)24-23(28)20-10-8-9-11-21(20)25-22(27)18(5)26(31(6,29)30)19-13-15(2)12-16(3)14-19/h8-14,17-18H,7H2,1-6H3,(H,24,28)(H,25,27)
InChIKey
PEEROKBAFPSORK-UHFFFAOYSA-N
Synonyms

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C(C)N(C2=CC(=CC(=C2)C)C)S(=O)(=O)C
InChI=1SC23H31N3O4Sc1717(4)2423(28)2010891121(20)2522(27)18(5)26(31(629)30)191315(2)1216(3)1419h8141718H7H216H3(H2428)(H2527)
MFCD05837173
N(butan2yl)2((N(35dimethylphenyl)N(methylsulfonyl)alanyl)amino)benzamide
NBUTAN2YL2(2(35DIMETHYLNMETHYLSULFONYLANILINO)PROPANOYLAMINO)BENZAMIDE
ZINC000002874403
ZINC000016400942

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Available files

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