Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(3-methoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK812795
SMILES COCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)F)OCC)c2ccccc2)/C1=O
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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 C25H24FN3O3S2 MW 497.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FN3O3S2/c1-3-32-21-11-10-17(14-20(21)26)23-18(16-29(27-23)19-8-5-4-6-9-19)15-22-24(30)28(25(33)34-22)12-7-13-31-2/h4-6,8-11,14-16H,3,7,12-13H2,1-2H3/b22-15-InChIKey
WVCNNHYASADQEY-JCMHNJIXSA-NSynonyms
(5Z)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)3(3methoxypropyl)2thioxo13thiazolidin4one
(5Z)5((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(3METHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOC)C4=CC=CC=C4)F
COCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)OCC)c2ccccc2)C1=O
InChI=1SC25H24FN3O3S2c133221111017(1420(21)26)2318(1629(2723)198546919)152224(30)28(25(33)3422)12713312h468111416H371213H212H3b2215
MFCD03506506
ZINC000016729192
ZINC16729192
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