Vitas-M small molecule compound

3-[(4-fluorobenzyl)amino]-5-(3-methoxyphenyl)cyclohex-2-en-1-one

Catalog ID
STK682693
SMILES COc1cccc(c1)C1CC(=CC(=O)C1)NCc1ccc(cc1)F

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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 C20H20FNO2 MW 325.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FNO2/c1-24-20-4-2-3-15(11-20)16-9-18(12-19(23)10-16)22-13-14-5-7-17(21)8-6-14/h2-8,11-12,16,22H,9-10,13H2,1H3
InChIKey
SSNPRJXKRCKZOI-UHFFFAOYSA-N
Synonyms

3((4fluorobenzyl)amino)5(3methoxyphenyl)cyclohex2en1one
3((4FLUOROPHENYL)METHYLAMINO)5(3METHOXYPHENYL)CYCLOHEX2EN1ONE
COC1=CC=CC(=C1)C2CC(=CC(=O)C2)NCC3=CC=C(C=C3)F
CYCLOHEX2ENONE3(4FLUOROBENZYLAMINO)5(3METHOXYPHENYL)
InChI=1SC20H20FNO2c1242042315(1120)16918(1219(23)1016)2213145717(21)8614h2811121622H91013H21H3
MFCD04060501
ZINC000100150854
ZINC000100150857

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Available files

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