Vitas-M small molecule compound

2-[(5Z)-4-oxo-5-(pyridinium-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoate

Catalog ID
STK559657
SMILES [O-]C(=O)C(N1C(=S)S/C(=C\c2ccc[nH+]c2)/C1=O)Cc1ccccc1

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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 C18H14N2O3S2 MW 370.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O3S2/c21-16-15(10-13-7-4-8-19-11-13)25-18(24)20(16)14(17(22)23)9-12-5-2-1-3-6-12/h1-8,10-11,14H,9H2,(H,22,23)/b15-10-
InChIKey
SOXZZAZQUQZHJV-GDNBJRDFSA-N
Synonyms
5688-68-6
(O)C(=O)C(N1C(=S)SC(=Cc2ccc(nH+)c2)C1=O)Cc1ccccc1
5688686
MFCD03665690
ZINC000001805466
ZINC000001805472

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Available files

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