Vitas-M small molecule compound
3-{(5E)-5-[(7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid
Catalog ID
STK621338
SMILES COc1ccc2c(c1)[nH]c(=O)c(c2)/C=C\1/SC(=S)N(C1=O)c1cccc(c1)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 C21H14N2O5S2 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O5S2/c1-28-15-6-5-11-7-13(18(24)22-16(11)10-15)9-17-19(25)23(21(29)30-17)14-4-2-3-12(8-14)20(26)27/h2-10H,1H3,(H,22,24)(H,26,27)/b17-9+InChIKey
OKELJYJPYCGPMV-RQZCQDPDSA-NSynonyms
3((5E)5((7methoxy2oxo12dihydroquinolin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)benzoicacid
3((5E)5((7methoxy2oxo1Hquinolin3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)benzoicacid
COC1=CC2=C(C=C1)C=C(C(=O)N2)C=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O
COc1ccc2c(c1)(nH)c(=O)c(c2)C=C1SC(=S)N(C1=O)c1cccc(c1)C(=O)O
InChI=1SC21H14N2O5S2c128156511713(18(24)2216(11)1015)91719(25)23(21(29)3017)1442312(814)20(26)27h210H1H3(H2224)(H2627)b179+
MFCD18158909
ZINC000013691588
ZINC13691588
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