Vitas-M small molecule compound

3-[(2-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

Catalog ID
STK897521
SMILES O=C1C=C(Nc2ccccc2F)CC(C1)(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 C14H16FNO MW 233.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16FNO/c1-14(2)8-10(7-11(17)9-14)16-13-6-4-3-5-12(13)15/h3-7,16H,8-9H2,1-2H3
InChIKey
NSVGOUMJUPQQKS-UHFFFAOYSA-N
Synonyms
145657-36-9
145657369
2CYCLOHEXEN1ONE3((2FLUOROPHENYL)AMINO)55DIMETHYL
3((2FLUOROPHENYL)AMINO)55DIMETHYL2CYCLOHEXEN1ONE
3((2fluorophenyl)amino)55dimethylcyclohex2en1one
3(2FLUOROANILINO)55DIMETHYL1CYCLOHEX2ENONE
3(2FLUOROANILINO)55DIMETHYL2CYCLOHEXEN1ONE
3(2FLUOROANILINO)55DIMETHYLCYCLOHEX2EN1ONE
3(2FLUOROPHENYLAMINO)55DIMETHYLCYCLOHEX2ENONE
CC1(CC(=CC(=O)C1)NC2=CC=CC=C2F)C
InChI=1SC14H16FNOc114(2)810(711(17)914)1613643512(13)15h3716H89H212H3
MFCD00245103
ZINC000002491095
ZINC02491095
ZINC2491095

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Available files

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