Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(4-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK810805
SMILES Cc1ccc(cc1)CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2)F)c2ccccc2)/C1=O
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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 C34H26FN3O2S2 MW 591.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H26FN3O2S2/c1-23-7-9-24(10-8-23)20-37-33(39)31(42-34(37)41)19-27-21-38(29-5-3-2-4-6-29)36-32(27)26-13-17-30(18-14-26)40-22-25-11-15-28(35)16-12-25/h2-19,21H,20,22H2,1H3/b31-19-InChIKey
AOLSZKRVNOSAAQ-DXJNIWACSA-NSynonyms
(5Z)5((3(4((4fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(4methylbenzyl)2thioxo13thiazolidin4one
(5Z)5((3(4((4FLUOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=C(C=C5)F)C6=CC=CC=C6)SC2=S
Cc1ccc(cc1)CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)F)c2ccccc2)C1=O
InChI=1SC34H26FN3O2S2c1237924(10823)203733(39)31(4234(37)41)19272138(295324629)3632(27)26131730(181426)402225111528(35)161225h21921H2022H21H3b3119
MFCD03933037
ZINC000100840500
ZINC100840500
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