Vitas-M small molecule compound
(5Z)-3-cyclohexyl-5-({3-[4-(naphthalen-1-ylmethoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823894
SMILES S=C1S/C(=C\c2cn(nc2c2ccc(cc2)OCc2cccc3c2cccc3)c2ccccc2)/C(=O)N1C1CCCCC1
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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 C36H31N3O2S2 MW 601.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31N3O2S2/c40-35-33(43-36(42)39(35)30-15-5-2-6-16-30)22-28-23-38(29-13-3-1-4-14-29)37-34(28)26-18-20-31(21-19-26)41-24-27-12-9-11-25-10-7-8-17-32(25)27/h1,3-4,7-14,17-23,30H,2,5-6,15-16,24H2/b33-22-InChIKey
YKXQCDNKLUZMAV-NVMPUMLXSA-NSynonyms
(5Z)3cyclohexyl5((3(4(naphthalen1ylmethoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3cyclohexyl5((3(4(naphthalen1ylmethoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
C1CCC(CC1)N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC6=CC=CC=C65)C7=CC=CC=C7)SC2=S
InChI=1SC36H31N3O2S2c403533(4336(42)39(35)30155261630)22282338(29133141429)3734(28)26182031(211926)412427129112510781732(25)27h134714172330H256151624H2b3322
MFCD18075758
S=C1SC(=Cc2cn(nc2c2ccc(cc2)OCc2cccc3c2cccc3)c2ccccc2)C(=O)N1C1CCCCC1
ZINC000097947220
ZINC97947220
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