Vitas-M small molecule compound
(5Z)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813349
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)F)OCCC)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 C30H34FN3O2S2 MW 551.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34FN3O2S2/c1-3-5-6-7-8-12-17-33-29(35)27(38-30(33)37)20-23-21-34(24-13-10-9-11-14-24)32-28(23)22-15-16-26(25(31)19-22)36-18-4-2/h9-11,13-16,19-21H,3-8,12,17-18H2,1-2H3/b27-20-InChIKey
QACQCGHTTOZGMO-OOAXWGSJSA-NSynonyms
(5Z)5((3(3fluoro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(3fluoro4propoxyphenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
5((3(3FLUORO4PROPOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3OCTYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC)F)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)OCCC)c2ccccc2)C1=O
InChI=1SC30H34FN3O2S2c13567812173329(35)27(3830(33)37)20232134(2413109111424)3228(23)22151626(25(31)1922)361842h91113161921H38121718H212H3b2720
MFCD03506477
ZINC000100871342
ZINC100871342
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