Vitas-M small molecule compound
(5Z)-3-(2-ethylhexyl)-5-[(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798285
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2F)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 C34H34FN3O2S2 MW 599.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34FN3O2S2/c1-3-5-11-24(4-2)21-37-33(39)31(42-34(37)41)20-27-22-38(28-13-7-6-8-14-28)36-32(27)25-16-18-29(19-17-25)40-23-26-12-9-10-15-30(26)35/h6-10,12-20,22,24H,3-5,11,21,23H2,1-2H3/b31-20-InChIKey
MOXWRYYFLKKXAD-GTWSWNCMSA-NSynonyms
(5Z)3(2ethylhexyl)5((3(4((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2ethylhexyl)5((3(4((2fluorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4F)C5=CC=CC=C5)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2F)c2ccccc2)C1=O)CC
InChI=1SC34H34FN3O2S2c1351124(42)213733(39)31(4234(37)41)20272238(28137681428)3632(27)25161829(191725)402326129101530(26)35h61012202224H35112123H212H3b3120
MFCD03417616
ZINC000100838505
ZINC000100838508
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