Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(3-methoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798286
SMILES COCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)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 C30H26ClN3O3S2 MW 576.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O3S2/c1-36-17-7-16-33-29(35)27(39-30(33)38)18-23-19-34(24-9-3-2-4-10-24)32-28(23)21-12-14-25(15-13-21)37-20-22-8-5-6-11-26(22)31/h2-6,8-15,18-19H,7,16-17,20H2,1H3/b27-18-InChIKey
LVIKSPVBHSHAKV-IMRQLAEWSA-NSynonyms
(5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(3methoxypropyl)2thioxo13thiazolidin4one
(5Z)5((3(4((2chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3(3methoxypropyl)2sulfanylidene13thiazolidin4one
COCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C5=CC=CC=C5)SC1=S
COCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C1=O
InChI=1SC30H26ClN3O3S2c136177163329(35)27(3930(33)38)18231934(2493241024)3228(23)21121425(151321)3720228561126(22)31h268151819H7161720H21H3b2718
MFCD03417617
ZINC000100838511
ZINC100838511
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