Vitas-M small molecule compound

methyl 3-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate

Catalog ID
STK837662
SMILES COC(=O)CCN1C(=S)S/C(=C\c2ccccc2Cl)/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 C14H12ClNO3S2 MW 341.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12ClNO3S2/c1-19-12(17)6-7-16-13(18)11(21-14(16)20)8-9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3/b11-8-
InChIKey
NSZKXMKURGVFLK-FLIBITNWSA-N
Synonyms

(Z)methyl3(5(2chlorobenzylidene)4oxo2thioxothiazolidin3yl)propanoate
COC(=O)CCN1C(=O)C(=CC2=CC=CC=C2Cl)SC1=S
COC(=O)CCN1C(=S)SC(=Cc2ccccc2Cl)C1=O
InChI=1SC14H12ClNO3S2c11912(17)671613(18)11(2114(16)20)89423510(9)15h258H67H21H3b118
METHYL3((5Z)5((2CHLOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOATE
methyl3((5Z)5(2chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)propanoate
MFCD02730266
ZINC000001179808
ZINC01179808
ZINC1179808

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Available files

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