Vitas-M small molecule compound

5-[(4-chloro-2-cyanophenyl)amino]-3,3-dimethyl-5-oxopentanoic acid

Catalog ID
STK112709
SMILES N#Cc1cc(Cl)ccc1NC(=O)CC(CC(=O)O)(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 C14H15ClN2O3 MW 294.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15ClN2O3/c1-14(2,7-13(19)20)6-12(18)17-11-4-3-10(15)5-9(11)8-16/h3-5H,6-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKey
MDFSLIBSRQNEDH-UHFFFAOYSA-N
Synonyms
737768-69-3
5((4CHLORO2CYANOPHENYL)AMINO)33DIMETHYL5OXOPENTANOICACID
5(4CHLORO2CYANOANILINO)33DIMETHYL5OXOPENTANOICACID
737768693
CC(C)(CC(=O)NC1=C(C=C(C=C1)Cl)C#N)CC(=O)O
InChI=1SC14H15ClN2O3c114(2713(19)20)612(18)17114310(15)59(11)816h35H67H212H3(H1718)(H1920)
MFCD08678600
ZINC000004689804
ZINC4689804

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Available files

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