Vitas-M small molecule compound
(5Z)-5-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-heptyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813335
SMILES CCCCCCCN1C(=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 C27H28FN3OS2 MW 493.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN3OS2/c1-3-4-5-6-10-15-30-26(32)24(34-27(30)33)17-21-18-31(22-11-8-7-9-12-22)29-25(21)20-14-13-19(2)23(28)16-20/h7-9,11-14,16-18H,3-6,10,15H2,1-2H3/b24-17-InChIKey
MPZZUFNQTOZOGG-ULJHMMPZSA-NSynonyms
(5Z)5((3(3fluoro4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3heptyl2thioxo13thiazolidin4one
(5Z)5((3(3fluoro4methylphenyl)1phenylpyrazol4yl)methylidene)3heptyl2sulfanylidene13thiazolidin4one
5((3(3FLUORO4METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3HEPTYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)C)F)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)C)c2ccccc2)C1=O
InChI=1SC27H28FN3OS2c1345610153026(32)24(3427(30)33)17211831(22118791222)2925(21)20141319(2)23(28)1620h7911141618H361015H212H3b2417
MFCD04441498
ZINC000100871335
ZINC100871335
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