Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK812790
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)F)OCC)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 C29H32FN3O2S2 MW 537.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32FN3O2S2/c1-3-5-6-7-8-12-17-32-28(34)26(37-29(32)36)19-22-20-33(23-13-10-9-11-14-23)31-27(22)21-15-16-25(35-4-2)24(30)18-21/h9-11,13-16,18-20H,3-8,12,17H2,1-2H3/b26-19-InChIKey
CBXHVOOVLZIGAL-XHPQRKPJSA-NSynonyms
(5Z)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(4ethoxy3fluorophenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)F)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)OCC)c2ccccc2)C1=O
InChI=1SC29H32FN3O2S2c13567812173228(34)26(3729(32)36)19222033(2313109111423)3127(22)21151625(3542)24(30)1821h91113161820H381217H212H3b2619
MFCD03506476
ZINC000097946631
ZINC97946631
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