Vitas-M small molecule compound

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

Catalog ID
STK553252
SMILES CSCCC(N1C(=S)S/C(=C\c2ccccc2OC)/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 C16H17NO4S3 MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO4S3/c1-21-12-6-4-3-5-10(12)9-13-14(18)17(16(22)24-13)11(15(19)20)7-8-23-2/h3-6,9,11H,7-8H2,1-2H3,(H,19,20)/b13-9-
InChIKey
CPQDQINQUMLTEX-LCYFTJDESA-N
Synonyms

(Z)2(5(2methoxybenzylidene)4oxo2thioxothiazolidin3yl)4(methylthio)butanoicacid
2((5Z)5((2METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)4METHYLSULFANYLBUTANOICACID
2((5Z)5(2methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)4(methylsulfanyl)butanoicacid
2(5((2METHOXYPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))4METHYLTHIOBUTANOICACID
COC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)O
CSCCC(N1C(=S)SC(=Cc2ccccc2OC)C1=O)C(=O)O
InChI=1SC16H17NO4S3c12112643510(12)91314(18)17(16(22)2413)11(15(19)20)78232h36911H78H212H3(H1920)b139
MFCD00710954
ZINC000013576645
ZINC000013576648

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Available files

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