Vitas-M small molecule compound
(5Z)-5-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813341
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)F)C)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 C28H30FN3OS2 MW 507.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FN3OS2/c1-3-4-5-6-7-11-16-31-27(33)25(35-28(31)34)18-22-19-32(23-12-9-8-10-13-23)30-26(22)21-15-14-20(2)24(29)17-21/h8-10,12-15,17-19H,3-7,11,16H2,1-2H3/b25-18-InChIKey
INETUQVUNOIXAD-BWAHOGKJSA-NSynonyms
(5Z)5((3(3fluoro4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(3fluoro4methylphenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
5((3(3FLUORO4METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3OCTYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)C)F)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)C)c2ccccc2)C1=O
InChI=1SC28H30FN3OS2c13456711163127(33)25(3528(31)34)18221932(231298101323)3026(22)21151420(2)24(29)1721h81012151719H371116H212H3b2518
MFCD04441501
ZINC000100871337
ZINC100871337
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