Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702806
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(CCCC)CC)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 C32H39N3O2S2 MW 561.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39N3O2S2/c1-5-8-13-24(7-3)21-34-31(36)29(39-32(34)38)20-26-22-35(27-14-11-10-12-15-27)33-30(26)25-16-17-28(23(4)19-25)37-18-9-6-2/h10-12,14-17,19-20,22,24H,5-9,13,18,21H2,1-4H3/b29-20-InChIKey
KVNFBGZMJDRCRF-BRPDVVIDSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2ethylhexyl)2thioxo13thiazolidin4one
(5Z)5((3(4butoxy3methylphenyl)1phenylpyrazol4yl)methylidene)3(2ethylhexyl)2sulfanylidene13thiazolidin4one
(Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3(2ethylhexyl)2thioxothiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCCC)C)C4=CC=CC=C4)SC1=S
CCCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CC(CCCC)CC)c1ccccc1
InChI=1SC32H39N3O2S2c1581324(73)213431(36)29(3932(34)38)20262235(27141110121527)3330(26)25161728(23(4)1925)3718962h1012141719202224H59131821H214H3b2920
MFCD02996423
ZINC000100837479
ZINC000100837480
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