Vitas-M small molecule compound
(5Z)-3-butyl-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880864
SMILES CCCCN1C(=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 C26H26FN3O2S2 MW 495.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26FN3O2S2/c1-3-5-13-29-25(31)23(34-26(29)33)16-19-17-30(20-9-7-6-8-10-20)28-24(19)18-11-12-22(21(27)15-18)32-14-4-2/h6-12,15-17H,3-5,13-14H2,1-2H3/b23-16-InChIKey
QXDMVZIGDAUOHX-KQWNVCNZSA-NSynonyms
(5Z)3butyl5((3(3fluoro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butyl5((3(3fluoro4propoxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
3BUTYL5((3(3FLUORO4PROPOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC)F)C4=CC=CC=C4)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)OCCC)c2ccccc2)C1=O
InChI=1SC26H26FN3O2S2c135132925(31)23(3426(29)33)16191730(2097681020)2824(19)18111222(21(27)1518)321442h6121517H351314H212H3b2316
MFCD03506462
ZINC000016729847
ZINC16729847
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