Vitas-M small molecule compound

3-(benzylamino)-5-(4-methylphenyl)cyclohex-2-en-1-one

Catalog ID
STK742027
SMILES O=C1C=C(NCc2ccccc2)CC(C1)c1ccc(cc1)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 C20H21NO MW 291.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO/c1-15-7-9-17(10-8-15)18-11-19(13-20(22)12-18)21-14-16-5-3-2-4-6-16/h2-10,13,18,21H,11-12,14H2,1H3
InChIKey
HBSBPHPQSGPPRW-UHFFFAOYSA-N
Synonyms
6401-56-5
3(benzylamino)5(4methylphenyl)cyclohex2en1one
3BENZYLAMINO5PTOLYLCYCLOHEX2ENONE
5(benzylamino)4methyl16dihydro(11biphenyl)3(2H)one
6401565
CC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCC3=CC=CC=C3
InChI=1SC20H21NOc1157917(10815)181119(1320(22)1218)2114165324616h210131821H111214H21H3
MFCD02236736
ZINC000100606916
ZINC000100606918

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Available files

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