Vitas-M small molecule compound
(5Z)-3-(4-methylphenyl)-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702150
SMILES CCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C)c1ccccc1
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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 C29H25N3O2S2 MW 511.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O2S2/c1-3-17-34-25-15-11-21(12-16-25)27-22(19-31(30-27)23-7-5-4-6-8-23)18-26-28(33)32(29(35)36-26)24-13-9-20(2)10-14-24/h4-16,18-19H,3,17H2,1-2H3/b26-18-InChIKey
GNYLEDKQQWTARR-ITYLOYPMSA-NSynonyms
(5Z)3(4methylphenyl)5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(4METHYLPHENYL)5((1PHENYL3(4PROPOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4=CC=C(C=C4)C)C5=CC=CC=C5
CCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)c1ccc(cc1)C)c1ccccc1
InChI=1SC29H25N3O2S2c13173425151121(121625)2722(1931(3027)237546823)182628(33)32(29(35)3626)2413920(2)101424h4161819H317H212H3b2618
MFCD03225662
ZINC000016699680
ZINC16699680
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