Vitas-M small molecule compound

ethyl 3-[(5E)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate

Catalog ID
STK877855
SMILES CCOC(=O)CCN1C(=S)S/C(=C/c2ccc(cc2)C)/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 C16H17NO3S2 MW 335.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO3S2/c1-3-20-14(18)8-9-17-15(19)13(22-16(17)21)10-12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3/b13-10+
InChIKey
WUDKRWKBGKVDAZ-JLHYYAGUSA-N
Synonyms

(Z)ethyl3(5(4methylbenzylidene)4oxo2thioxothiazolidin3yl)propanoate
CCOC(=O)CCN1C(=O)C(=CC2=CC=C(C=C2)C)SC1=S
CCOC(=O)CCN1C(=S)SC(=Cc2ccc(cc2)C)C1=O
ETHYL3((5E)5((4METHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOATE
ethyl3((5E)5(4methylbenzylidene)4oxo2thioxo13thiazolidin3yl)propanoate
InChI=1SC16H17NO3S2c132014(18)891715(19)13(2216(17)21)10126411(2)5712h4710H389H212H3b1310+
MFCD18170246
ZINC000005790881
ZINC05790881
ZINC5790881

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Available files

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