Vitas-M small molecule compound

methyl 4-[(5E)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoate

Catalog ID
STL297473
SMILES COC(=O)CCCN1C(=S)S/C(=C/c2ccccc2)/C1=O

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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 C15H15NO3S2 MW 321.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15NO3S2/c1-19-13(17)8-5-9-16-14(18)12(21-15(16)20)10-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/b12-10+
InChIKey
IVSVZOITWFXZKP-ZRDIBKRKSA-N
Synonyms
(Z)methyl4(5benzylidene4oxo2thioxothiazolidin3yl)butanoate
COC(=O)CCCN1C(=O)C(=CC2=CC=CC=C2)SC1=S
COC(=O)CCCN1C(=S)SC(=Cc2ccccc2)C1=O
METHYL4((5E)5BENZYLIDENE4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOATE
methyl4((5E)5benzylidene4oxo2thioxo13thiazolidin3yl)butanoate
Registry IDs
MFCD01847083
ZINC000005214254
ZINC05214254
ZINC5214254

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Available files

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