Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK810615
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)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 C34H33Cl2N3O2S2 MW 650.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33Cl2N3O2S2/c1-2-3-4-5-6-10-19-38-33(40)31(43-34(38)42)20-26-22-39(28-11-8-7-9-12-28)37-32(26)24-14-17-29(18-15-24)41-23-25-13-16-27(35)21-30(25)36/h7-9,11-18,20-22H,2-6,10,19,23H2,1H3/b31-20-InChIKey
IUGHNOHGOYCMNU-GTWSWNCMSA-NSynonyms
(5Z)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(4((24dichlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)c2ccccc2)C1=O
InChI=1SC34H33Cl2N3O2S2c12345610193833(40)31(4334(38)42)20262239(28118791228)3732(26)24141729(181524)412325131627(35)2130(25)36h7911182022H26101923H21H3b3120
MFCD03932988
ZINC000150400061
ZINC150400061
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