Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811476
SMILES CCCCCCN1C(=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 C32H29Cl2N3O2S2 MW 622.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29Cl2N3O2S2/c1-2-3-4-8-17-36-31(38)29(41-32(36)40)18-24-20-37(26-9-6-5-7-10-26)35-30(24)22-12-15-27(16-13-22)39-21-23-11-14-25(33)19-28(23)34/h5-7,9-16,18-20H,2-4,8,17,21H2,1H3/b29-18-InChIKey
GJEWKSGWNSPAQB-MIXAMLLLSA-NSynonyms
(5Z)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3hexyl2thioxo13thiazolidin4one
(5Z)5((3(4((24dichlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3hexyl2sulfanylidene13thiazolidin4one
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)c2ccccc2)C1=O
InChI=1SC32H29Cl2N3O2S2c12348173631(38)29(4132(36)40)18242037(2696571026)3530(24)22121527(161322)392123111425(33)1928(23)34h579161820H2481721H21H3b2918
MFCD06264863
ZINC000097946443
ZINC97946443
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