Vitas-M small molecule compound
(5Z)-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK574268
SMILES CC(COc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(C)C)c1ccccc1)C
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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 C28H31N3O2S2 MW 505.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S2/c1-18(2)15-30-27(32)25(35-28(30)34)14-21-16-31(22-9-7-6-8-10-22)29-26(21)24-12-11-23(13-20(24)5)33-17-19(3)4/h6-14,16,18-19H,15,17H2,1-5H3/b25-14-InChIKey
OYBRTTVUSTZECK-QFEZKATASA-NSynonyms
956047-09-9(5Z)5((3(2methyl4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methylpropyl)2thioxo13thiazolidin4one
(5Z)5((3(2METHYL4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4isobutoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3isobutyl2thioxothiazolidin4one
956047099
CC(COc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CC(C)C)c1ccccc1)C
CC1=C(C=CC(=C1)OCC(C)C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(C)C)C4=CC=CC=C4
InChI=1SC28H31N3O2S2c118(2)153027(32)25(3528(30)34)14211631(2297681022)2926(21)24121123(1320(24)5)331719(3)4h614161819H1517H215H3b2514
MFCD03664823
ZINC000002242064
ZINC02242064
ZINC2242064
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