Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK810869
SMILES COc1ccc(cc1)CCN1C(=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 C35H28ClN3O3S2 MW 638.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28ClN3O3S2/c1-41-29-15-11-24(12-16-29)19-20-38-34(40)32(44-35(38)43)21-27-22-39(28-8-3-2-4-9-28)37-33(27)25-13-17-30(18-14-25)42-23-26-7-5-6-10-31(26)36/h2-18,21-22H,19-20,23H2,1H3/b32-21-InChIKey
LZSLTNCZUNOTJW-QXPFVDMISA-NSynonyms
(5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2(4methoxyphenyl)ethyl)2thioxo13thiazolidin4one
(5Z)5((3(4((2chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3(2(4methoxyphenyl)ethyl)2sulfanylidene13thiazolidin4one
COC1=CC=C(C=C1)CCN2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5Cl)C6=CC=CC=C6)SC2=S
COc1ccc(cc1)CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C1=O
InChI=1SC35H28ClN3O3S2c14129151124(121629)19203834(40)32(4435(38)43)21272239(288324928)3733(27)25131730(181425)4223267561031(26)36h2182122H192023H21H3b3221
MFCD06256627
ZINC000097946341
ZINC97946341
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