Vitas-M small molecule compound
(5E)-3-(1,3-benzodioxol-5-yl)-5-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL379668
SMILES COc1cc(ccc1OCc1ccc(cc1)Cl)/C=C\1/SC(=S)N(C1=O)c1ccc2c(c1)OCO2
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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 C25H18ClNO5S2 MW 512.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClNO5S2/c1-29-21-10-16(4-8-19(21)30-13-15-2-5-17(26)6-3-15)11-23-24(28)27(25(33)34-23)18-7-9-20-22(12-18)32-14-31-20/h2-12H,13-14H2,1H3/b23-11+InChIKey
XPQLJNNYNNYGLH-FOKLQQMPSA-NSynonyms
(5E)3(13BENZODIOXOL5YL)5((4((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3(13benzodioxol5yl)5(4((4chlorobenzyl)oxy)3methoxybenzylidene)2thioxo13thiazolidin4one
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)OCC5=CC=C(C=C5)Cl
COc1cc(ccc1OCc1ccc(cc1)Cl)C=C1SC(=S)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC25H18ClNO5S2c129211016(4819(21)3013152517(26)6315)112324(28)27(25(33)3423)18792022(1218)32143120h212H1314H21H3b2311+
MFCD04085640
ZINC000003769509
ZINC03769509
ZINC3769509
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