Vitas-M small molecule compound

2-{[N-(4-methylphenyl)-N-(methylsulfonyl)alanyl]amino}-N-(prop-2-en-1-yl)benzamide

Catalog ID
STL087214
SMILES C=CCNC(=O)c1ccccc1NC(=O)C(N(S(=O)(=O)C)c1ccc(cc1)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 C21H25N3O4S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4S/c1-5-14-22-21(26)18-8-6-7-9-19(18)23-20(25)16(3)24(29(4,27)28)17-12-10-15(2)11-13-17/h5-13,16H,1,14H2,2-4H3,(H,22,26)(H,23,25)
InChIKey
BRDAITCRUGYRFF-UHFFFAOYSA-N
Synonyms

2((N(4methylphenyl)N(methylsulfonyl)alanyl)amino)N(prop2en1yl)benzamide
2((N(4METHYLPHENYL)N(METHYLSULFONYL)DALANYL)AMINO)N(PROP2EN1YL)BENZAMIDE
2((N(4METHYLPHENYL)N(METHYLSULFONYL)LALANYL)AMINO)N(PROP2EN1YL)BENZAMIDE
2(2(4METHYLNMETHYLSULFONYLANILINO)PROPANOYLAMINO)NPROP2ENYLBENZAMIDE
CC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=CC=C2C(=O)NCC=C)S(=O)(=O)C
InChI=1SC21H25N3O4Sc15142221(26)18867919(18)2320(25)16(3)24(29(427)28)17121015(2)111317h51316H114H224H3(H2226)(H2325)
MFCD05835820
ZINC000002879287
ZINC000002879288

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Available files

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