Vitas-M small molecule compound

4-(benzylsulfanyl)-5-(piperidin-1-yl)benzene-1,2-dicarbonitrile

Catalog ID
STK328535
SMILES N#Cc1cc(SCc2ccccc2)c(cc1C#N)N1CCCCC1

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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 C20H19N3S MW 333.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3S/c21-13-17-11-19(23-9-5-2-6-10-23)20(12-18(17)14-22)24-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-12H,2,5-6,9-10,15H2
InChIKey
LDCKDRXDJWZCPX-UHFFFAOYSA-N
Synonyms
881580-76-3
4(benzylsulfanyl)5(piperidin1yl)benzene12dicarbonitrile
4BENZYLSULFANYL5PIPERIDIN1YLBENZENE12DICARBONITRILE
881580763
C1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)SCC3=CC=CC=C3
InChI=1SC20H19N3Sc2113171119(2395261023)20(1218(17)1422)2415167314816h134781112H25691015H2
MFCD08556764
ZINC000007380195
ZINC07380195
ZINC7380195

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Available files

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