Vitas-M small molecule compound

2-cyano-5,5-dimethyl-4-oxo-3-(pyridinium-1-yl)hexane(dithioate)

Catalog ID
STL325842
SMILES N#CC(C(C(=O)C(C)(C)C)[n+]1ccccc1)C(=S)[S-]

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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 C14H16N2OS2 MW 292.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2OS2/c1-14(2,3)12(17)11(10(9-15)13(18)19)16-7-5-4-6-8-16/h4-8,10-11H,1-3H3
InChIKey
DKSCCGWTUOCZEU-UHFFFAOYSA-N
Synonyms
1103534-09-3
1103534093
2cyano55dimethyl4oxo3(pyridin1ium1yl)hexanedithioate
2cyano55dimethyl4oxo3(pyridinium1yl)hexane(dithioate)
2cyano55dimethyl4oxo3pyridin1ium1ylhexanedithioate
CC(C)(C)C(=O)C(C(C#N)C(=S)(S))(N+)1=CC=CC=C1
InChI=1SC14H16N2OS2c114(23)12(17)11(10(915)13(18)19)167546816h481011H13H3
MFCD01085482
N#CC(C(C(=O)C(C)(C)C)(n+)1ccccc1)C(=S)(S)
ZINC000005379540
ZINC000005379545

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Available files

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