Vitas-M small molecule compound
(5Z)-3-(2-ethylhexyl)-5-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK903430
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCC=C)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 C31H35N3O2S2 MW 545.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O2S2/c1-5-8-12-23(7-3)20-33-30(35)28(38-31(33)37)19-25-21-34(26-13-10-9-11-14-26)32-29(25)24-15-16-27(22(4)18-24)36-17-6-2/h6,9-11,13-16,18-19,21,23H,2,5,7-8,12,17,20H2,1,3-4H3/b28-19-InChIKey
XQXBRBRRLYJMIA-USHMODERSA-NSynonyms
(5Z)3(2ethylhexyl)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2ethylhexyl)5((3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)5((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3(2ethylhexyl)2thioxothiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCC=C)c2ccccc2)C1=O)CC
InChI=1SC31H35N3O2S2c1581223(73)203330(35)28(3831(33)37)19252134(2613109111426)3229(25)24151627(22(4)1824)361762h6911131618192123H2578121720H2134H3b2819
MFCD02988269
ZINC000100764679
ZINC000100764684
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