Vitas-M small molecule compound
(5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK881256
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)SCCCC)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/c1-3-5-7-11-18-31-28(33)26(36-29(31)34)20-23-21-32(24-12-9-8-10-13-24)30-27(23)22-14-16-25(17-15-22)35-19-6-4-2/h8-10,12-17,20-21H,3-7,11,18-19H2,1-2H3/b26-20-InChIKey
IQHMYZGFFPDRFP-QOMWVZHYSA-NSynonyms
1009434-60-9(5Z)5((3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)3hexyl2thioxo13thiazolidin4one
(5Z)5((3(4BUTYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3HEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)methylene)3hexyl2thioxothiazolidin4one
1009434609
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)SCCCC)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)SCCCC)c2ccccc2)C1=O
InChI=1SC29H33N3OS3c135711183128(33)26(3629(31)34)20232132(241298101324)3027(23)22141625(171522)3519642h81012172021H37111819H212H3b2620
MFCD03690575
ZINC000101013429
ZINC101013429
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