Vitas-M small molecule compound
(5Z)-3-cyclopentyl-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813500
SMILES CC(COc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCC1)c1ccccc1)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 C29H31N3O2S2 MW 517.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O2S2/c1-19(2)18-34-25-14-13-21(15-20(25)3)27-22(17-31(30-27)23-9-5-4-6-10-23)16-26-28(33)32(29(35)36-26)24-11-7-8-12-24/h4-6,9-10,13-17,19,24H,7-8,11-12,18H2,1-3H3/b26-16-InChIKey
HCHRHQRKAXNLMP-QQXSKIMKSA-NSynonyms
(5Z)3cyclopentyl5((3(3methyl4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOPENTYL5((3(3METHYL4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3CYCLOPENTYL5((3(4ISOBUTOXY3METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CC(COc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCC1)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCC4)C5=CC=CC=C5)OCC(C)C
InChI=1SC29H31N3O2S2c119(2)183425141321(1520(25)3)2722(1731(3027)2395461023)162628(33)32(29(35)3626)2411781224h4691013171924H78111218H213H3b2616
MFCD04441616
ZINC000002533193
ZINC02533193
ZINC2533193
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.