Vitas-M small molecule compound
[(5E)-5-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL428642
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)CC(=O)O)cc(c1OCc1ccc(cc1)Cl)Cl
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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 C21H17Cl2NO5S2 MW 498.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2NO5S2/c1-2-28-16-8-13(9-17-20(27)24(10-18(25)26)21(30)31-17)7-15(23)19(16)29-11-12-3-5-14(22)6-4-12/h3-9H,2,10-11H2,1H3,(H,25,26)/b17-9+InChIKey
POSOJTJUSNTHTH-RQZCQDPDSA-NSynonyms
((5E)5(3chloro4((4chlorobenzyl)oxy)5ethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((3chloro4((4chlorophenyl)methoxy)5ethoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)Cl)OCC3=CC=C(C=C3)Cl
CCOc1cc(C=C2SC(=S)N(C2=O)CC(=O)O)cc(c1OCc1ccc(cc1)Cl)Cl
InChI=1SC21H17Cl2NO5S2c122816813(91720(27)24(1018(25)26)21(30)3117)715(23)19(16)2911123514(22)6412h39H21011H21H3(H2526)b179+
MFCD04084414
ZINC000009310487
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