Vitas-M small molecule compound
2-{(5E)-5-[(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-3-methylbutanoic acid
Catalog ID
STK619646
SMILES CC(C(N1C(=S)S/C(=C/c2cc3cc4OCCOc4cc3nc2O)/C1=O)C(=O)O)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 C20H18N2O6S2 MW 446.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6S2/c1-9(2)16(19(25)26)22-18(24)15(30-20(22)29)7-11-5-10-6-13-14(28-4-3-27-13)8-12(10)21-17(11)23/h5-9,16H,3-4H2,1-2H3,(H,21,23)(H,25,26)/b15-7+InChIKey
BHIAVBCENULYJH-VIZOYTHASA-NSynonyms
2((5E)5((7hydroxy23dihydro(14)dioxino(23g)quinolin8yl)methylidene)4oxo2thioxo13thiazolidin3yl)3methylbutanoicacid
3methyl2((5E)4oxo5((7oxo36dihydro2H(14)dioxino(23g)quinolin8yl)methylidene)2sulfanylidene13thiazolidin3yl)butanoicacid
CC(C(N1C(=S)SC(=Cc2cc3cc4OCCOc4cc3nc2O)C1=O)C(=O)O)C
InChI=1SC20H18N2O6S2c19(2)16(19(25)26)2218(24)15(3020(22)29)71151061314(28432713)812(10)2117(11)23h5916H34H212H3(H2123)(H2526)b157+
MFCD09796437
ZINC000009419126
ZINC000009419127
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