Vitas-M small molecule compound
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-{[(5-chloro-2,4-dimethoxyphenyl)amino]methyl}-1,3-thiazolidine-2,4-dione
Catalog ID
STL443342
SMILES COc1cc(OC)c(cc1NCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)/C1=O)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 C20H17ClN2O6S MW 448.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O6S/c1-26-15-8-16(27-2)13(7-12(15)21)22-9-23-19(24)18(30-20(23)25)6-11-3-4-14-17(5-11)29-10-28-14/h3-8,22H,9-10H2,1-2H3/b18-6-InChIKey
DKJRFUQUWUIZIL-FXBPXSCXSA-NSynonyms
(5Z)5(13benzodioxol5ylmethylidene)3(((5chloro24dimethoxyphenyl)amino)methyl)13thiazolidine24dione
(5Z)5(13benzodioxol5ylmethylidene)3((5chloro24dimethoxyanilino)methyl)13thiazolidine24dione
COC1=CC(=C(C=C1NCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=O)Cl)OC
COc1cc(OC)c(cc1NCN1C(=O)SC(=Cc2ccc3c(c2)OCO3)C1=O)Cl
InChI=1SC20H17ClN2O6Sc12615816(272)13(712(15)21)2292319(24)18(3020(23)25)611341417(511)29102814h3822H910H212H3b186
MFCD30712548
ZINC000002185141
ZINC2185141
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