Vitas-M small molecule compound

4-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STK571390
SMILES OC(=O)CCCN1C(=S)S/C(=C/c2ccc(c(c2)O)O)/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 C14H13NO5S2 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13NO5S2/c16-9-4-3-8(6-10(9)17)7-11-13(20)15(14(21)22-11)5-1-2-12(18)19/h3-4,6-7,16-17H,1-2,5H2,(H,18,19)/b11-7+
InChIKey
MAKCXXFKMOPPSN-YRNVUSSQSA-N
Synonyms
300558-23-0
(E)4(5(34dihydroxybenzylidene)4oxo2thioxothiazolidin3yl)butanoicacid
300558230
4((5E)5((34DIHYDROXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4((5E)5(34dihydroxybenzylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4(5((34DIHYDROXYPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOICACID
C1=CC(=C(C=C1C=C2C(=O)N(C(=S)S2)CCCC(=O)O)O)O
InChI=1SC14H13NO5S2c169438(610(9)17)71113(20)15(14(21)2211)51212(18)19h34671617H125H2(H1819)b117+
MFCD05151210
OC(=O)CCCN1C(=S)SC(=Cc2ccc(c(c2)O)O)C1=O
ZINC000002381763
ZINC2381763

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Available files

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