Vitas-M small molecule compound
(5Z)-3-(butan-2-yl)-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
STK703269
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(CC)C)c1ccccc1
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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 C27H27N3O2S2 MW 489.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S2/c1-5-14-32-23-13-12-20(15-18(23)3)25-21(17-29(28-25)22-10-8-7-9-11-22)16-24-26(31)30(19(4)6-2)27(33)34-24/h5,7-13,15-17,19H,1,6,14H2,2-4H3/b24-16-InChIKey
JXSHPZDPIJEMFX-JLPGSUDCSA-NSynonyms
955893-51-3(5Z)3(butan2yl)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butan2yl5((3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)5((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3(secbutyl)2thioxothiazolidin4one
955893513
C=CCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)C(CC)C)c1ccccc1
CCC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)SC1=S
InChI=1SC27H27N3O2S2c15143223131220(1518(23)3)2521(1729(2825)22108791122)162426(31)30(19(4)62)27(33)3424h5713151719H1614H224H3b2416
MFCD03662607
ZINC000002363225
ZINC000002363229
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