Vitas-M small molecule compound

2-(benzylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Catalog ID
STL323818
SMILES N#Cc1cc2CCCCCc2nc1SCc1ccccc1

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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 C18H18N2S MW 294.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2S/c19-12-16-11-15-9-5-2-6-10-17(15)20-18(16)21-13-14-7-3-1-4-8-14/h1,3-4,7-8,11H,2,5-6,9-10,13H2
InChIKey
HZZGEVXBLCDNSA-UHFFFAOYSA-N
Synonyms
370078-27-6
2(benzylsulfanyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
2(benzylthio)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
2benzylsulfanyl6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
370078276
C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=CC=CC=C3
InChI=1SC18H18N2Sc191216111595261017(15)2018(16)2113147314814h1347811H25691013H2
MFCD01085347
ZINC000000495643
ZINC00495643
ZINC495643

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Available files

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