Vitas-M small molecule compound

4-(azepan-1-yl)-1-(3-fluorophenyl)-1-phenylbut-2-yn-1-ol

Catalog ID
STK729232
SMILES Fc1cccc(c1)C(c1ccccc1)(C#CCN1CCCCCC1)O

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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 C22H24FNO MW 337.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24FNO/c23-21-13-8-12-20(18-21)22(25,19-10-4-3-5-11-19)14-9-17-24-15-6-1-2-7-16-24/h3-5,8,10-13,18,25H,1-2,6-7,15-17H2
InChIKey
HHMYHBDQZUAFQB-UHFFFAOYSA-N
Synonyms

4(azepan1yl)1(3fluorophenyl)1phenylbut2yn1ol
4(azepan1yl)1(3fluorophenyl)1phenylbut2yn1olhydrochloride
4AZAPERHYDROEPINYL1(3FLUOROPHENYL)1PHENYLBUT2YN1OL
4AZEPAN1YL1(3FLUOROPHENYL)1PHENYLBUT2YN1OL
C1CCCN(CC1)CC#CC(C2=CC=CC=C2)(C3=CC(=CC=C3)F)O
Fc1cccc(c1)C(c1ccccc1)(C#CCN1CCCCCC1)OCl
InChI=1SC22H24FNOc23211381220(1821)22(2519104351119)14917241561271624h35810131825H12671517H2
MFCD01960211
ZINC000000318168
ZINC000004819556

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Available files

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