Vitas-M small molecule compound
[(5Z)-5-{3-chloro-4-[(2,4-dichlorobenzyl)oxy]-5-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK289349
SMILES COc1cc(/C=C/2\SC(=S)N(C2=O)CC(=O)O)cc(c1OCc1ccc(cc1Cl)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 C20H14Cl3NO5S2 MW 518.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl3NO5S2/c1-28-15-5-10(6-16-19(27)24(8-17(25)26)20(30)31-16)4-14(23)18(15)29-9-11-2-3-12(21)7-13(11)22/h2-7H,8-9H2,1H3,(H,25,26)/b16-6-InChIKey
MEYPJHOHKYOBEA-SOFYXZRVSA-NSynonyms
((5Z)5(3chloro4((24dichlorobenzyl)oxy)5methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((3chloro4((24dichlorophenyl)methoxy)5methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)Cl)OCC3=C(C=C(C=C3)Cl)Cl
COc1cc(C=C2SC(=S)N(C2=O)CC(=O)O)cc(c1OCc1ccc(cc1Cl)Cl)Cl
InChI=1SC20H14Cl3NO5S2c12815510(61619(27)24(817(25)26)20(30)3116)414(23)18(15)299112312(21)713(11)22h27H89H21H3(H2526)b166
MFCD09960238
ZINC000097962176
ZINC97962176
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