Vitas-M small molecule compound

2-(benzylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Catalog ID
STL323534
SMILES N#Cc1cc2CCCCCCc2nc1SCc1ccccc1

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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 C19H20N2S MW 308.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2S/c20-13-17-12-16-10-6-1-2-7-11-18(16)21-19(17)22-14-15-8-4-3-5-9-15/h3-5,8-9,12H,1-2,6-7,10-11,14H2
InChIKey
IRNLYPFWPDTUTM-UHFFFAOYSA-N
Synonyms
340813-24-3
2(benzylsulfanyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
2(benzylthio)5678910hexahydrocycloocta(b)pyridine3carbonitrile
2benzylsulfanyl5678910hexahydrocycloocta(b)pyridine3carbonitrile
340813243
C1CCCC2=C(CC1)C=C(C(=N2)SCC3=CC=CC=C3)C#N
InChI=1SC19H20N2Sc20131712161061271118(16)2119(17)2214158435915h358912H1267101114H2
MFCD00408518
ZINC000000495402
ZINC00495402
ZINC495402

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Available files

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