Vitas-M small molecule compound

1-benzothiophen-3-yl[4-(pyrimidin-2-yl)piperazin-1-yl]methanone

Catalog ID
STK423203
SMILES O=C(c1csc2c1cccc2)N1CCN(CC1)c1ncccn1

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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 C17H16N4OS MW 324.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4OS/c22-16(14-12-23-15-5-2-1-4-13(14)15)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-7,12H,8-11H2
InChIKey
ARLVQCCEBBZCQB-UHFFFAOYSA-N
Synonyms

1benzothiophen3yl(4(pyrimidin2yl)piperazin1yl)methanone
1BENZOTHIOPHEN3YL(4PYRIMIDIN2YLPIPERAZIN1YL)METHANONE
BENZO(B)THIOPHEN3YL4PYRIMIDIN2YLPIPERAZINYLKETONE
C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CSC4=CC=CC=C43
InChI=1SC17H16N4OSc2216(14122315521413(14)15)2081021(11920)17186371917h1712H811H2
MFCD02177255
ZINC000002768235
ZINC02768235
ZINC2768235

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Available files

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