Vitas-M small molecule compound
(5Z)-3-benzyl-5-({1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703273
SMILES C=CCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)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 C29H23N3O2S2 MW 509.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O2S2/c1-2-17-34-25-15-13-22(14-16-25)27-23(20-32(30-27)24-11-7-4-8-12-24)18-26-28(33)31(29(35)36-26)19-21-9-5-3-6-10-21/h2-16,18,20H,1,17,19H2/b26-18-InChIKey
TYKNMOGNKINVKL-ITYLOYPMSA-NSynonyms
(5Z)3benzyl5((1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BENZYL5((1PHENYL3(4PROP2ENOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(allyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)3benzyl2thioxothiazolidin4one
C=CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C5=CC=CC=C5
C=CCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1
InChI=1SC29H23N3O2S2c12173425151322(141625)2723(2032(3027)24117481224)182628(33)31(29(35)3626)192195361021h2161820H11719H2b2618
MFCD02988381
ZINC000009169520
ZINC09169520
ZINC9169520
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