Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK816163
SMILES CCCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC=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 C25H22ClN3O2S2 MW 496.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O2S2/c1-3-12-28-24(30)22(33-25(28)32)15-18-16-29(19-8-6-5-7-9-19)27-23(18)17-10-11-21(20(26)14-17)31-13-4-2/h3,5-11,14-16H,1,4,12-13H2,2H3/b22-15-InChIKey
FZESIXKPDFNCMG-JCMHNJIXSA-NSynonyms
(5Z)5((3(3chloro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(prop2en1yl)2thioxo13thiazolidin4one
(5Z)5((3(3CHLORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC=C)C4=CC=CC=C4)Cl
CCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)CC=C)c1ccccc1
InChI=1SC25H22ClN3O2S2c13122824(30)22(3325(28)32)15181629(198657919)2723(18)17101121(20(26)1417)311342h35111416H141213H22H3b2215
MFCD04554569
ZINC000016733112
ZINC16733112
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