Vitas-M small molecule compound
(5Z)-5-({3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK881254
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)SCC)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 C29H33N3OS3 MW 535.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3OS3/c1-3-5-6-7-8-12-19-31-28(33)26(36-29(31)34)20-23-21-32(24-13-10-9-11-14-24)30-27(23)22-15-17-25(18-16-22)35-4-2/h9-11,13-18,20-21H,3-8,12,19H2,1-2H3/b26-20-InChIKey
ZEGXQMKWTKBAHN-QOMWVZHYSA-NSynonyms
1008880-24-7(5Z)5((3(4(ethylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(4ethylsulfanylphenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
(Z)5((3(4(ethylthio)phenyl)1phenyl1Hpyrazol4yl)methylene)3octyl2thioxothiazolidin4one
1008880247
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)SCC)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)SCC)c2ccccc2)C1=O
InChI=1SC29H33N3OS3c13567812193128(33)26(3629(31)34)20232132(2413109111424)3027(23)22151725(181622)3542h91113182021H381219H212H3b2620
MFCD03694343
ZINC000101021823
ZINC101021823
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