Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811324
SMILES 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 C28H21Cl2N3O2S2 MW 566.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21Cl2N3O2S2/c1-2-32-27(34)25(37-28(32)36)14-20-16-33(22-6-4-3-5-7-22)31-26(20)18-9-12-23(13-10-18)35-17-19-8-11-21(29)15-24(19)30/h3-16H,2,17H2,1H3/b25-14-InChIKey
NBZFIVYRBRPHDB-QFEZKATASA-NSynonyms
(5Z)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3ethyl2thioxo13thiazolidin4one
(5Z)5((3(4((24dichlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3ethyl2sulfanylidene13thiazolidin4one
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
CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)c2ccccc2)C1=O
InChI=1SC28H21Cl2N3O2S2c123227(34)25(3728(32)36)14201633(226435722)3126(20)1891223(131018)35171981121(29)1524(19)30h316H217H21H3b2514
MFCD06264852
ZINC000097946624
ZINC97946624
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