Vitas-M small molecule compound
(5E)-3-(1,3-benzodioxol-5-yl)-5-[4-(benzyloxy)-3-chloro-5-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL379653
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc3c(c2)OCO3)cc(c1OCc1ccccc1)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 C25H18ClNO5S2 MW 512.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClNO5S2/c1-29-21-10-16(9-18(26)23(21)30-13-15-5-3-2-4-6-15)11-22-24(28)27(25(33)34-22)17-7-8-19-20(12-17)32-14-31-19/h2-12H,13-14H2,1H3/b22-11+InChIKey
FRHVFGPCCNXAIH-SSDVNMTOSA-NSynonyms
(5E)3(13benzodioxol5yl)5((3chloro5methoxy4phenylmethoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3(13benzodioxol5yl)5(4(benzyloxy)3chloro5methoxybenzylidene)2thioxo13thiazolidin4one
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)Cl)OCC5=CC=CC=C5
COc1cc(C=C2SC(=S)N(C2=O)c2ccc3c(c2)OCO3)cc(c1OCc1ccccc1)Cl
InChI=1SC25H18ClNO5S2c129211016(918(26)23(21)3013155324615)112224(28)27(25(33)3422)17781920(1217)32143119h212H1314H21H3b2211+
MFCD04085619
ZINC000009232858
ZINC09232858
ZINC9232858
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