Vitas-M small molecule compound

ethyl 2-[(5Z)-5-(4-cyanobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

Catalog ID
STK157390
SMILES CCOC(=O)C(N1C(=O)S/C(=C\c2ccc(cc2)C#N)/C1=O)C

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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 C16H14N2O4S MW 330.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O4S/c1-3-22-15(20)10(2)18-14(19)13(23-16(18)21)8-11-4-6-12(9-17)7-5-11/h4-8,10H,3H2,1-2H3/b13-8-
InChIKey
ALJFHALVNUNMHY-JYRVWZFOSA-N
Synonyms

CCOC(=O)C(C)N1C(=O)C(=CC2=CC=C(C=C2)C#N)SC1=O
CCOC(=O)C(N1C(=O)SC(=Cc2ccc(cc2)C#N)C1=O)C
ETHYL2((5Z)5((4CYANOPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
ETHYL2((5Z)5(4CYANOBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
InChI=1SC16H14N2O4Sc132215(20)10(2)1814(19)13(2316(18)21)8114612(917)7511h4810H3H212H3b138
MFCD03729418
ZINC000000981071
ZINC000000981073

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Available files

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