Vitas-M small molecule compound

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

Catalog ID
STK842948
SMILES N#Cc1cc2CCCCCc2nc1SCc1cccnc1

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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 C17H17N3S MW 295.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3S/c18-10-15-9-14-6-2-1-3-7-16(14)20-17(15)21-12-13-5-4-8-19-11-13/h4-5,8-9,11H,1-3,6-7,12H2
InChIKey
NHDULFCCABKQLW-UHFFFAOYSA-N
Synonyms
445382-41-2
2((pyridin3ylmethyl)sulfanyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
2((pyridin3ylmethyl)thio)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
2(pyridin3ylmethylsulfanyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
445382412
C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=CN=CC=C3
InChI=1SC17H17N3Sc1810159146213716(14)2017(15)211213548191113h458911H136712H2
MFCD03234531
ZINC000000377316
ZINC00377316
ZINC377316

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Available files

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