Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK812803
SMILES CCOc1ccc(cc1F)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc(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 C29H24FN3O2S2 MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FN3O2S2/c1-3-35-25-14-13-21(15-24(25)30)27-22(18-33(31-27)23-7-5-4-6-8-23)16-26-28(34)32(29(36)37-26)17-20-11-9-19(2)10-12-20/h4-16,18H,3,17H2,1-2H3/b26-16-InChIKey
QIOAAPRMHSXYFE-QQXSKIMKSA-NSynonyms
(5Z)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)3(4methylbenzyl)2thioxo13thiazolidin4one
(5Z)5((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C)C5=CC=CC=C5)F
CCOc1ccc(cc1F)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)C)c1ccccc1
InChI=1SC29H24FN3O2S2c133525141321(1524(25)30)2722(1833(3127)237546823)162628(34)32(29(36)3726)172011919(2)101220h41618H317H212H3b2616
MFCD06265079
ZINC000097946632
ZINC97946632
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