Vitas-M small molecule compound

(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)[4-(pyridin-2-yl)piperazin-1-yl]methanone

Catalog ID
STK488607
SMILES CCC1CCc2c(C1)cc(s2)C(=O)N1CCN(CC1)c1ccccn1

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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 C20H25N3OS MW 355.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3OS/c1-2-15-6-7-17-16(13-15)14-18(25-17)20(24)23-11-9-22(10-12-23)19-5-3-4-8-21-19/h3-5,8,14-15H,2,6-7,9-13H2,1H3
InChIKey
DYOPEMZKWFXHSP-UHFFFAOYSA-N
Synonyms
871089-48-4
(5ethyl4567tetrahydro1benzothiophen2yl)(4(pyridin2yl)piperazin1yl)methanone
(5ethyl4567tetrahydro1benzothiophen2yl)(4pyridin2ylpiperazin1yl)methanone
871089484
CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=N4
InChI=1SC20H25N3OSc1215671716(1315)1418(2517)20(24)2311922(101223)1953482119h3581415H267913H21H3
MFCD07343507
ZINC000006583334
ZINC000006583340

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Available files

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