Vitas-M small molecule compound
(5Z)-3-(butan-2-yl)-5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK707611
SMILES CCC(N1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCC(C)C)c2ccccc2)/C1=O)C
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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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-6-21(5)32-28(33)26(36-29(32)35)17-23-18-31(24-10-8-7-9-11-24)30-27(23)22-12-13-25(20(4)16-22)34-15-14-19(2)3/h7-13,16-19,21H,6,14-15H2,1-5H3/b26-17-InChIKey
SCZKQXVLIMCWGR-ONUIUJJFSA-NSynonyms
1010865-27-6(5Z)3(butan2yl)5((3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butan2yl5((3(3methyl4(3methylbutoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3(secbutyl)5((3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
1010865276
CCC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC(C)C)C)C4=CC=CC=C4)SC1=S
CCC(N1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCCC(C)C)c2ccccc2)C1=O)C
InChI=1SC29H33N3O2S2c1621(5)3228(33)26(3629(32)35)17231831(24108791124)3027(23)22121325(20(4)1622)34151419(2)3h713161921H61415H215H3b2617
MFCD03662735
ZINC000002241657
ZINC000002241659
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.