Vitas-M small molecule compound
(5Z)-3-(2-ethylhexyl)-5-({3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK881245
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)SCC)c2ccccc2)/C1=O)CC
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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 C29H33N3OS3 MW 535.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3OS3/c1-4-7-11-21(5-2)19-31-28(33)26(36-29(31)34)18-23-20-32(24-12-9-8-10-13-24)30-27(23)22-14-16-25(17-15-22)35-6-3/h8-10,12-18,20-21H,4-7,11,19H2,1-3H3/b26-18-InChIKey
FKGUVVKKFRIIBC-ITYLOYPMSA-NSynonyms
1008878-42-9(5Z)3(2ethylhexyl)5((3(4(ethylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2ETHYLHEXYL)5((3(4ETHYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(2ethylhexyl)5((3(4(ethylthio)phenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
1008878429
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)SCC)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)SCC)c2ccccc2)C1=O)CC
InChI=1SC29H33N3OS3c1471121(52)193128(33)26(3629(31)34)18232032(241298101324)3027(23)22141625(171522)3563h81012182021H471119H213H3b2618
MFCD03687291
ZINC000101006139
ZINC000101006142
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