Vitas-M small molecule compound
(5Z)-5-({3-[2-methyl-5-(propan-2-yl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK808910
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2cc(ccc2C)C(C)C)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 C28H31N3OS2 MW 489.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3OS2/c1-5-6-10-15-30-27(32)25(34-28(30)33)17-22-18-31(23-11-8-7-9-12-23)29-26(22)24-16-21(19(2)3)14-13-20(24)4/h7-9,11-14,16-19H,5-6,10,15H2,1-4H3/b25-17-InChIKey
HOSASJJTTWVQFD-UQQQWYQISA-NSynonyms
(5Z)5((3(2methyl5(propan2yl)phenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(2METHYL5PROPAN2YLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=CC(=C3)C(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2cc(ccc2C)C(C)C)c2ccccc2)C1=O
InChI=1SC28H31N3OS2c15610153027(32)25(3428(30)33)17221831(23118791223)2926(22)241621(19(2)3)141320(24)4h7911141619H561015H214H3b2517
MFCD03461121
ZINC000002672581
ZINC02672581
ZINC2672581
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