Vitas-M small molecule compound

6-tert-butyl-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STL338088
SMILES N#Cc1cc2CC(CCc2[nH]c1=S)C(C)(C)C

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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 C14H18N2S MW 246.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2S/c1-14(2,3)11-4-5-12-9(7-11)6-10(8-15)13(17)16-12/h6,11H,4-5,7H2,1-3H3,(H,16,17)
InChIKey
RZDNWUJMAFHRDK-UHFFFAOYSA-N
Synonyms
401631-92-3
401631923
6(tertbutyl)2thioxo125678hexahydroquinoline3carbonitrile
6tertbutyl2sulfanylidene5678tetrahydro1Hquinoline3carbonitrile
6tertbutyl2thioxo125678hexahydroquinoline3carbonitrile
CC(C)(C)C1CCC2=C(C1)C=C(C(=S)N2)C#N
InChI=1SC14H18N2Sc114(23)1145129(711)610(815)13(17)1612h611H457H213H3(H1617)
MFCD03683122
N#Cc1cc2CC(CCc2(nH)c1=S)C(C)(C)C
ZINC000000520684
ZINC000000520685

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Available files

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