Vitas-M small molecule compound
2-{(5E)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic acid
Catalog ID
STK995284
SMILES CSCCC(N1C(=S)S/C(=C/c2cccn2C)/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 C14H16N2O3S3 MW 356.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O3S3/c1-15-6-3-4-9(15)8-11-12(17)16(14(20)22-11)10(13(18)19)5-7-21-2/h3-4,6,8,10H,5,7H2,1-2H3,(H,18,19)/b11-8+InChIKey
HPHYVEJFFVYTJV-DHZHZOJOSA-NSynonyms
(Z)2(5((1methyl1Hpyrrol2yl)methylene)4oxo2thioxothiazolidin3yl)4(methylthio)butanoicacid
2((5E)5((1methyl1Hpyrrol2yl)methylidene)4oxo2thioxo13thiazolidin3yl)4(methylsulfanyl)butanoicacid
2((5E)5((1methylpyrrol2yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)4methylsulfanylbutanoicacid
CN1C=CC=C1C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)O
CSCCC(N1C(=S)SC(=Cc2cccn2C)C1=O)C(=O)O
InChI=1SC14H16N2O3S3c1156349(15)81112(17)16(14(20)2211)10(13(18)19)57212h346810H57H212H3(H1819)b118+
MFCD18185198
ZINC000002401951
ZINC000002401953
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