Vitas-M small molecule compound
(5Z)-3-hexyl-5-{[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK809223
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2c(C)cc(cc2C)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/c1-5-6-7-11-14-30-27(32)24(34-28(30)33)17-22-18-31(23-12-9-8-10-13-23)29-26(22)25-20(3)15-19(2)16-21(25)4/h8-10,12-13,15-18H,5-7,11,14H2,1-4H3/b24-17-InChIKey
CISOZEMVLDZXPI-ULJHMMPZSA-NSynonyms
(5Z)3hexyl5((1phenyl3(246trimethylphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3HEXYL5((1PHENYL3(246TRIMETHYLPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3C)C)C)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2c(C)cc(cc2C)C)c2ccccc2)C1=O
InChI=1SC28H31N3OS2c156711143027(32)24(3428(30)33)17221831(231298101323)2926(22)2520(3)1519(2)1621(25)4h81012131518H571114H214H3b2417
MFCD03461277
ZINC000016790638
ZINC16790638
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