Vitas-M small molecule compound

azepan-1-yl[2-(thiophen-2-yl)quinolin-4-yl]methanone

Catalog ID
STK442930
SMILES O=C(c1cc(nc2c1cccc2)c1cccs1)N1CCCCCC1

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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 C20H20N2OS MW 336.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2OS/c23-20(22-11-5-1-2-6-12-22)16-14-18(19-10-7-13-24-19)21-17-9-4-3-8-15(16)17/h3-4,7-10,13-14H,1-2,5-6,11-12H2
InChIKey
WUDLTCVNQWCERR-UHFFFAOYSA-N
Synonyms
419559-73-2
419559732
AZAPERHYDROEPINYL2(2THIENYL)(4QUINOLYL)KETONE
azepan1yl(2(thiophen2yl)quinolin4yl)methanone
AZEPAN1YL(2THIOPHEN2YLQUINOLIN4YL)METHANONE
C1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4
InChI=1SC20H20N2OSc2320(221151261222)161418(19107132419)2117943815(16)17h347101314H12561112H2
MFCD01339099
ZINC000000433626
ZINC00433626
ZINC433626

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Available files

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