Vitas-M small molecule compound

2-[(phenylamino)methylidene]cyclohexane-1,3-dione

Catalog ID
STK895617
SMILES O=C1CCCC(=O)C1=CNc1ccccc1

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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 C13H13NO2 MW 215.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13NO2/c15-12-7-4-8-13(16)11(12)9-14-10-5-2-1-3-6-10/h1-3,5-6,9,14H,4,7-8H2
InChIKey
WAFGYQXACWFBCF-UHFFFAOYSA-N
Synonyms
41732-05-2
2((PHENYLAMINO)METHYLENE)CYCLOHEXANE13DIONE
2((phenylamino)methylidene)cyclohexane13dione
2(ANILINOMETHYLENE)13CYCLOHEXANEDIONE
2(ANILINOMETHYLIDENE)CYCLOHEXANE13DIONE
41732052
C1CC(=O)C(=CNC2=CC=CC=C2)C(=O)C1
CYCLOHEXANE13DIONE2PHENYLAMINOMETHYLENE
InChI=1SC13H13NO2c151274813(16)11(12)914105213610h1356914H478H2
MFCD00101156
ZINC000100140065
ZINC00173816
ZINC100140065

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Available files

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