Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702454
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(C)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 C28H31N3O2S2 MW 505.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S2/c1-5-6-14-33-24-13-12-21(15-20(24)4)26-22(18-31(29-26)23-10-8-7-9-11-23)16-25-27(32)30(17-19(2)3)28(34)35-25/h7-13,15-16,18-19H,5-6,14,17H2,1-4H3/b25-16-InChIKey
PORFANUJQRXEPL-XYGWBWBKSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methylpropyl)2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3isobutyl2thioxothiazolidin4one
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(C)C)C4=CC=CC=C4)C
CCCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CC(C)C)c1ccccc1
InChI=1SC28H31N3O2S2c156143324131221(1520(24)4)2622(1831(2926)23108791123)162527(32)30(1719(2)3)28(34)3525h71315161819H561417H214H3b2516
MFCD02989443
ZINC000002248637
ZINC02248637
ZINC2248637
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