Vitas-M small molecule compound
2-{(5E)-5-[(8-ethoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic acid
Catalog ID
STK618201
SMILES CSCCC(N1C(=S)S/C(=C/c2ccc3c(n2)c(OCC)ccc3)/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 C20H20N2O4S3 MW 448.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4S3/c1-3-26-15-6-4-5-12-7-8-13(21-17(12)15)11-16-18(23)22(20(27)29-16)14(19(24)25)9-10-28-2/h4-8,11,14H,3,9-10H2,1-2H3,(H,24,25)/b16-11+InChIKey
HUNRZRPKVKMEOW-LFIBNONCSA-NSynonyms
(E)2(5((8ethoxyquinolin2yl)methylene)4oxo2thioxothiazolidin3yl)4(methylthio)butanoicacid
2((5E)5((8ethoxyquinolin2yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)4methylsulfanylbutanoicacid
2((5E)5((8ethoxyquinolin2yl)methylidene)4oxo2thioxo13thiazolidin3yl)4(methylsulfanyl)butanoicacid
CCOC1=CC=CC2=C1N=C(C=C2)C=C3C(=O)N(C(=S)S3)C(CCSC)C(=O)O
CSCCC(N1C(=S)SC(=Cc2ccc3c(n2)c(OCC)ccc3)C1=O)C(=O)O
InChI=1SC20H20N2O4S3c132615645127813(2117(12)15)111618(23)22(20(27)2916)14(19(24)25)910282h481114H3910H212H3(H2425)b1611+
MFCD09854274
ZINC000013693593
ZINC000013693595
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