Vitas-M small molecule compound
(5Z)-3-hexyl-5-({3-[2-methyl-5-(propan-2-yl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823053
SMILES CCCCCCN1C(=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 C29H33N3OS2 MW 503.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3OS2/c1-5-6-7-11-16-31-28(33)26(35-29(31)34)18-23-19-32(24-12-9-8-10-13-24)30-27(23)25-17-22(20(2)3)15-14-21(25)4/h8-10,12-15,17-20H,5-7,11,16H2,1-4H3/b26-18-InChIKey
GYBCQWBBIWFIKJ-ITYLOYPMSA-NSynonyms
(5Z)3hexyl5((3(2methyl5(propan2yl)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3hexyl5((3(2methyl5propan2ylphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=CC(=C3)C(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2cc(ccc2C)C(C)C)c2ccccc2)C1=O
InChI=1SC29H33N3OS2c156711163128(33)26(3529(31)34)18231932(241298101324)3027(23)251722(20(2)3)151421(25)4h81012151720H571116H214H3b2618
MFCD03463615
ZINC000027018320
ZINC27018320
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