Vitas-M small molecule compound

azepan-1-yl(3-chloro-1-benzothiophen-2-yl)methanone

Catalog ID
STK417701
SMILES O=C(c1sc2c(c1Cl)cccc2)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 C15H16ClNOS MW 293.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClNOS/c16-13-11-7-3-4-8-12(11)19-14(13)15(18)17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey
IVOMSROVGCQSNN-UHFFFAOYSA-N
Synonyms

1((3CHLORO1BENZOTHIEN2YL)CARBONYL)AZEPANE
1(3CHLORO1BENZO(B)THIOPHENE2CARBONYL)AZEPANE
AZAPERHYDROEPINYL3CHLOROBENZO(B)THIOPHEN2YLKETONE
azepan1yl(3chloro1benzothiophen2yl)methanone
C1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3S2)Cl
InChI=1SC15H16ClNOSc161311734812(11)1914(13)15(18)17951261017h3478H1256910H2
MFCD00616459
ZINC000000437668
ZINC00437668
ZINC437668

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Available files

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