Vitas-M small molecule compound

2-{[(2-chlorophenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione

Catalog ID
STK864391
SMILES O=C1CC(C)(C)CC(=O)C1=CNc1ccccc1Cl

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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 C15H16ClNO2 MW 277.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClNO2/c1-15(2)7-13(18)10(14(19)8-15)9-17-12-6-4-3-5-11(12)16/h3-6,9,17H,7-8H2,1-2H3
InChIKey
RZJQWPKIVQACNN-UHFFFAOYSA-N
Synonyms

2(((2CHLOROPHENYL)AMINO)METHYLENE)55DIMETHYLCYCLOHEXANE13DIONE
2(((2chlorophenyl)amino)methylidene)55dimethylcyclohexane13dione
2((2CHLOROANILINO)METHYLIDENE)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(=CNC2=CC=CC=C2Cl)C(=O)C1)C
InChI=1SC15H16ClNO2c115(2)713(18)10(14(19)815)91712643511(12)16h36917H78H212H3
MFCD00102944
ZINC000000095764
ZINC00095764
ZINC95764

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Available files

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