Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823846
SMILES C=CCN1C(=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 C29H21Cl2N3O2S2 MW 578.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21Cl2N3O2S2/c1-2-14-33-28(35)26(38-29(33)37)15-21-17-34(23-6-4-3-5-7-23)32-27(21)19-9-12-24(13-10-19)36-18-20-8-11-22(30)16-25(20)31/h2-13,15-17H,1,14,18H2/b26-15-InChIKey
MKCIJSNAXCJZSE-YSMPRRRNSA-NSynonyms
(5Z)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(prop2en1yl)2thioxo13thiazolidin4one
(5Z)5((3(4((24dichlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
C=CCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5)SC1=S
C=CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)c2ccccc2)C1=O
InChI=1SC29H21Cl2N3O2S2c12143328(35)26(3829(33)37)15211734(236435723)3227(21)1991224(131019)36182081122(30)1625(20)31h2131517H11418H2b2615
MFCD18075731
ZINC000097947202
ZINC97947202
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