Vitas-M small molecule compound

dimethyl [(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]propanedioate

Catalog ID
STK519508
SMILES COC(=O)C(C(=O)OC)Sc1nc(cc(c1C#N)c1ccccc1)c1ccccc1

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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 C23H18N2O4S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O4S/c1-28-22(26)20(23(27)29-2)30-21-18(14-24)17(15-9-5-3-6-10-15)13-19(25-21)16-11-7-4-8-12-16/h3-13,20H,1-2H3
InChIKey
LIGQBWZQGJAEQK-UHFFFAOYSA-N
Synonyms
710288-49-6
710288496
COC(=O)C(C(=O)OC)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N
dimethyl((3cyano46diphenylpyridin2yl)sulfanyl)propanedioate
DIMETHYL2(3CYANO46DIPHENYL2PYRIDYLTHIO)PROPANE13DIOATE
DIMETHYL2(3CYANO46DIPHENYLPYRIDIN2YL)SULFANYLPROPANEDIOATE
InChI=1SC23H18N2O4Sc12822(26)20(23(27)292)302118(1424)17(1595361015)1319(2521)16117481216h31320H12H3
MFCD04001134
ZINC000016189595
ZINC16189595

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Available files

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