Vitas-M small molecule compound
6-amino-8-(thiophen-2-yl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
Catalog ID
STK746456
SMILES N#CC1=C(N)C(C(C2C1=CCSC2)c1cccs1)(C#N)C#N
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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 C16H12N4S2 MW 324.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4S2/c17-6-11-10-3-5-21-7-12(10)14(13-2-1-4-22-13)16(8-18,9-19)15(11)20/h1-4,12,14H,5,7,20H2InChIKey
CCKWFVSTTBMJRJ-UHFFFAOYSA-NSynonyms
6amino8(thiophen2yl)88adihydro1Hisothiochromene577(3H)tricarbonitrile
6amino8thiophen2yl1388atetrahydroisothiochromene577tricarbonitrile
C1C=C2C(CS1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3
InChI=1SC16H12N4S2c17611103521712(10)14(132142213)16(818919)15(11)20h141214H5720H2
MFCD00472850
ZINC000002185025
ZINC000002185028
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