Vitas-M small molecule compound
(5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK881159
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)SCCCC)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 C28H31N3OS3 MW 521.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3OS3/c1-3-5-10-17-30-27(32)25(35-28(30)33)19-22-20-31(23-11-8-7-9-12-23)29-26(22)21-13-15-24(16-14-21)34-18-6-4-2/h7-9,11-16,19-20H,3-6,10,17-18H2,1-2H3/b25-19-InChIKey
CANYMMXCVCIBFM-PLRJNAJWSA-NSynonyms
1009434-76-7(5Z)5((3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(4BUTYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)methylene)3pentyl2thioxothiazolidin4one
1009434767
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)SCCCC)C4=CC=CC=C4)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)SCCCC)c2ccccc2)C1=O
InChI=1SC28H31N3OS3c13510173027(32)25(3528(30)33)19222031(23118791223)2926(22)21131524(161421)3418642h7911161920H36101718H212H3b2519
MFCD03691594
ZINC000009462859
ZINC09462859
ZINC9462859
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