Vitas-M small molecule compound

4-(methylsulfanyl)-2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STK994844
SMILES CSCCC(N1C(=S)S/C(=C\c2ccncc2)/C1=O)C(=O)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 C14H14N2O3S3 MW 354.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O3S3/c1-21-7-4-10(13(18)19)16-12(17)11(22-14(16)20)8-9-2-5-15-6-3-9/h2-3,5-6,8,10H,4,7H2,1H3,(H,18,19)/b11-8-
InChIKey
VWFQQYPZLQVCJJ-FLIBITNWSA-N
Synonyms

(Z)4(methylthio)2(4oxo5(pyridin4ylmethylene)2thioxothiazolidin3yl)butanoicacid
4(methylsulfanyl)2((5Z)4oxo5(pyridin4ylmethylidene)2thioxo13thiazolidin3yl)butanoicacid
4METHYLSULFANYL2((5Z)4OXO5(PYRIDIN1IUM4YLMETHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOATE
4METHYLSULFANYL2((5Z)4OXO5(PYRIDIN4YLMETHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4METHYLTHIO2(4OXO5(4PYRIDYLMETHYLENE)2THIOXO(13THIAZOLIDIN3YL))BUTANOICACID
CSCCC(C(=O)O)N1C(=O)C(=CC2=CC=NC=C2)SC1=S
CSCCC(N1C(=S)SC(=Cc2ccncc2)C1=O)C(=O)O
InChI=1SC14H14N2O3S3c1217410(13(18)19)1612(17)11(2214(16)20)892515639h2356810H47H21H3(H1819)b118
MFCD03301170
ZINC000001819358
ZINC000001819360

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Available files

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