Vitas-M small molecule compound
2-{(5E)-5-[(7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-3-methylbutanoic acid
Catalog ID
STK620303
SMILES COc1ccc2c(c1)[nH]c(=O)c(c2)/C=C\1/SC(=S)N(C1=O)C(C(=O)O)C(C)C
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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 C19H18N2O5S2 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O5S2/c1-9(2)15(18(24)25)21-17(23)14(28-19(21)27)7-11-6-10-4-5-12(26-3)8-13(10)20-16(11)22/h4-9,15H,1-3H3,(H,20,22)(H,24,25)/b14-7+InChIKey
GJYDPWNKBXGOCT-VGOFMYFVSA-NSynonyms
2((5E)5((7methoxy2oxo12dihydroquinolin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)3methylbutanoicacid
2((5E)5((7methoxy2oxo1Hquinolin3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)3methylbutanoicacid
CC(C)C(C(=O)O)N1C(=O)C(=CC2=CC3=C(C=C(C=C3)OC)NC2=O)SC1=S
COc1ccc2c(c1)(nH)c(=O)c(c2)C=C1SC(=S)N(C1=O)C(C(=O)O)C(C)C
InChI=1SC19H18N2O5S2c19(2)15(18(24)25)2117(23)14(2819(21)27)7116104512(263)813(10)2016(11)22h4915H13H3(H2022)(H2425)b147+
MFCD18158859
ZINC000013690871
ZINC000013690872
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