Vitas-M small molecule compound
{4-[(E)-({(5Z)-5-[4-(carboxymethoxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}imino)methyl]-2-methoxyphenoxy}acetic acid
Catalog ID
STL418746
SMILES COc1cc(/C=N/N2C(=S)S/C(=C\c3ccc(c(c3)OC)OCC(=O)O)/C2=O)ccc1OCC(=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 C23H20N2O9S2 MW 532.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O9S2/c1-31-17-7-13(3-5-15(17)33-11-20(26)27)9-19-22(30)25(23(35)36-19)24-10-14-4-6-16(18(8-14)32-2)34-12-21(28)29/h3-10H,11-12H2,1-2H3,(H,26,27)(H,28,29)/b19-9-,24-10+InChIKey
BMQUSIVATNOHOH-PQQHKIEUSA-NSynonyms
(4((E)(((5Z)5(4(carboxymethoxy)3methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)imino)methyl)2methoxyphenoxy)aceticacid
2(4((Z)(3((E)(4(carboxymethoxy)3methoxyphenyl)methylideneamino)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenoxy)aceticacid
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)N=CC3=CC(=C(C=C3)OCC(=O)O)OC)OCC(=O)O
COc1cc(C=NN2C(=S)SC(=Cc3ccc(c(c3)OC)OCC(=O)O)C2=O)ccc1OCC(=O)O
InChI=1SC23H20N2O9S2c13117713(3515(17)331120(26)27)91922(30)25(23(35)3619)2410144616(18(814)322)341221(28)29h310H1112H212H3(H2627)(H2829)b1992410+
MFCD02627796
ZINC000104579030
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