Vitas-M small molecule compound

3-[(3-chlorophenyl)amino]cyclohex-2-en-1-one

Catalog ID
STK885524
SMILES O=C1CCCC(=C1)Nc1cccc(c1)Cl

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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 C12H12ClNO MW 221.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12ClNO/c13-9-3-1-4-10(7-9)14-11-5-2-6-12(15)8-11/h1,3-4,7-8,14H,2,5-6H2
InChIKey
YXLDBVLXNIGYEP-UHFFFAOYSA-N
Synonyms
51409-82-6
3((3chlorophenyl)amino)cyclohex2en1one
3(3CHLOROANILINO)2CYCLOHEXEN1ONE
3(3CHLOROANILINO)CYCLOHEX2EN1ONE
51409826
C1CC(=CC(=O)C1)NC2=CC(=CC=C2)Cl
InChI=1SC12H12ClNOc13931410(79)141152612(15)811h1347814H256H2
MFCD01109150
ZINC000004265248
ZINC04265248
ZINC4265248

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Available files

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