Vitas-M small molecule compound

2-{(5E)-5-[(2-methyl-2H-chromen-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic acid

Catalog ID
STK631133
SMILES CSCCC(N1C(=S)S/C(=C/C2=Cc3ccccc3OC2C)/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 C19H19NO4S3 MW 421.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO4S3/c1-11-13(9-12-5-3-4-6-15(12)24-11)10-16-17(21)20(19(25)27-16)14(18(22)23)7-8-26-2/h3-6,9-11,14H,7-8H2,1-2H3,(H,22,23)/b16-10+
InChIKey
YZESAYPDGUCDEM-MHWRWJLKSA-N
Synonyms

(E)2(5((2methyl2Hchromen3yl)methylene)4oxo2thioxothiazolidin3yl)4(methylthio)butanoicacid
2((5E)5((2methyl2Hchromen3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)4methylsulfanylbutanoicacid
2((5E)5((2methyl2Hchromen3yl)methylidene)4oxo2thioxo13thiazolidin3yl)4(methylsulfanyl)butanoicacid
CC1C(=CC2=CC=CC=C2O1)C=C3C(=O)N(C(=S)S3)C(CCSC)C(=O)O
CSCCC(N1C(=S)SC(=CC2=Cc3ccccc3OC2C)C1=O)C(=O)O
InChI=1SC19H19NO4S3c11113(912534615(12)2411)101617(21)20(19(25)2716)14(18(22)23)78262h3691114H78H212H3(H2223)b1610+
MFCD09857414
ZINC000013730143
ZINC000013730151

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Available files

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