Vitas-M small molecule compound
(5Z)-5-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK706557
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCC)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 C31H37N3O2S2 MW 547.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O2S2/c1-4-6-7-8-9-13-18-33-30(35)28(38-31(33)37)21-25-22-34(26-14-11-10-12-15-26)32-29(25)24-16-17-27(23(3)20-24)36-19-5-2/h10-12,14-17,20-22H,4-9,13,18-19H2,1-3H3/b28-21-InChIKey
UPCUSLCTKHAPFE-HFTWOUSFSA-NSynonyms
(5Z)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(3methyl4propoxyphenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
(Z)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3octyl2thioxothiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC)C)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCCC)c2ccccc2)C1=O
InChI=1SC31H37N3O2S2c14678913183330(35)28(3831(33)37)21252234(26141110121526)3229(25)24161727(23(3)2024)361952h101214172022H49131819H213H3b2821
MFCD02998492
ZINC000100798558
ZINC100798558
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