Vitas-M small molecule compound

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

Catalog ID
STK552116
SMILES CSCCC(N1C(=S)S/C(=C\c2ccc(c(c2)OC)O)/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 C16H17NO5S3 MW 399.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO5S3/c1-22-12-7-9(3-4-11(12)18)8-13-14(19)17(16(23)25-13)10(15(20)21)5-6-24-2/h3-4,7-8,10,18H,5-6H2,1-2H3,(H,20,21)/b13-8-
InChIKey
FYTQPPXGEPQUDL-JYRVWZFOSA-N
Synonyms

(Z)2(5(4hydroxy3methoxybenzylidene)4oxo2thioxothiazolidin3yl)4(methylthio)butanoicacid
2((5Z)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)4METHYLSULFANYLBUTANOICACID
2((5Z)5(4hydroxy3methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)4(methylsulfanyl)butanoicacid
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)O)O
CSCCC(N1C(=S)SC(=Cc2ccc(c(c2)OC)O)C1=O)C(=O)O
InChI=1SC16H17NO5S3c1221279(3411(12)18)81314(19)17(16(23)2513)10(15(20)21)56242h34781018H56H212H3(H2021)b138
MFCD02267542
ZINC000013689050
ZINC000013689053

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Available files

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