Vitas-M small molecule compound

5-[(4-cyanophenyl)amino]-3-methyl-5-oxopentanoic acid

Catalog ID
STK118617
SMILES CC(CC(=O)O)CC(=O)Nc1ccc(cc1)C#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 C13H14N2O3 MW 246.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O3/c1-9(7-13(17)18)6-12(16)15-11-4-2-10(8-14)3-5-11/h2-5,9H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKey
GLYNVMFRDBZYAJ-UHFFFAOYSA-N
Synonyms
737794-75-1
5((4CYANOPHENYL)AMINO)3METHYL5OXOPENTANOICACID
5(4CYANOANILINO)3METHYL5OXOPENTANOICACID
5(4CYANOPHENYLAMINO)3METHYL5OXOPENTANOICACID
737794751
CC(CC(=O)NC1=CC=C(C=C1)C#N)CC(=O)O
InChI=1SC13H14N2O3c19(713(17)18)612(16)15114210(814)3511h259H67H21H3(H1516)(H1718)
MFCD08678585
ZINC000004691263
ZINC000004691264

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Available files

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