Vitas-M small molecule compound
2-[(5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid
Catalog ID
STK706841
SMILES CCCCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1
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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 C25H24ClN3O5S3 MW 578.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O5S3/c1-2-3-12-34-21-10-9-17(14-20(21)26)23-18(16-29(27-23)19-7-5-4-6-8-19)15-22-24(30)28(25(35)36-22)11-13-37(31,32)33/h4-10,14-16H,2-3,11-13H2,1H3,(H,31,32,33)/b22-15-InChIKey
AZDAIVRJQUPXLS-JCMHNJIXSA-NSynonyms
(Z)2(5((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)ethanesulfonicacid
2((5Z)5((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)ethanesulfonicacid
2((5Z)5((3(4BUTOXY3CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANESULFONICACID
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O)C4=CC=CC=C4)Cl
CCCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1
InChI=1SC25H24ClN3O5S3c12312342110917(1420(21)26)2318(1629(2723)197546819)152224(30)28(25(35)3622)111337(3132)33h4101416H231113H21H3(H313233)b2215
MFCD04016603
ZINC000097947249
ZINC97947249
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.