Vitas-M small molecule compound
(5Z)-3-butyl-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811486
SMILES CCCCN1C(=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 C30H25Cl2N3O2S2 MW 594.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Cl2N3O2S2/c1-2-3-15-34-29(36)27(39-30(34)38)16-22-18-35(24-7-5-4-6-8-24)33-28(22)20-10-13-25(14-11-20)37-19-21-9-12-23(31)17-26(21)32/h4-14,16-18H,2-3,15,19H2,1H3/b27-16-InChIKey
MWHMURHQZTVEIY-YUMHPJSZSA-NSynonyms
(5Z)3butyl5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butyl5((3(4((24dichlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)c2ccccc2)C1=O
InChI=1SC30H25Cl2N3O2S2c123153429(36)27(3930(34)38)16221835(247546824)3328(22)20101325(141120)37192191223(31)1726(21)32h4141618H231519H21H3b2716
MFCD06264872
ZINC000097946449
ZINC97946449
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