Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798428
SMILES CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)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 C28H23N3O2S2 MW 497.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O2S2/c1-2-30-27(32)25(35-28(30)34)17-22-18-31(23-11-7-4-8-12-23)29-26(22)21-13-15-24(16-14-21)33-19-20-9-5-3-6-10-20/h3-18H,2,19H2,1H3/b25-17-InChIKey
LTEHLUUCZOSZPG-UQQQWYQISA-NSynonyms
(5Z)3ETHYL5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3ethyl2thioxo13thiazolidin4one
CCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)SC1=S
CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C1=O
InChI=1SC28H23N3O2S2c123027(32)25(3528(30)34)17221831(23117481223)2926(22)21131524(161421)33192095361020h318H219H21H3b2517
MFCD03417683
ZINC000002666027
ZINC02666027
ZINC2666027
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