Vitas-M small molecule compound
(5Z)-5-{3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]benzylidene}-3-(4-ethoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL378835
SMILES CCOc1ccc(cc1)N1C(=S)S/C(=C\c2cccc(c2)Oc2nc(Cl)ncc2F)/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 C22H15ClFN3O3S2 MW 487.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClFN3O3S2/c1-2-29-15-8-6-14(7-9-15)27-20(28)18(32-22(27)31)11-13-4-3-5-16(10-13)30-19-17(24)12-25-21(23)26-19/h3-12H,2H2,1H3/b18-11-InChIKey
FBDFLUJNQCOLQG-WQRHYEAKSA-NSynonyms
(5Z)5((3(2chloro5fluoropyrimidin4yl)oxyphenyl)methylidene)3(4ethoxyphenyl)2sulfanylidene13thiazolidin4one
(5Z)5(3((2chloro5fluoropyrimidin4yl)oxy)benzylidene)3(4ethoxyphenyl)2thioxo13thiazolidin4one
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)OC4=NC(=NC=C4F)Cl)SC2=S
CCOc1ccc(cc1)N1C(=S)SC(=Cc2cccc(c2)Oc2nc(Cl)ncc2F)C1=O
InChI=1SC22H15ClFN3O3S2c1229158614(7915)2720(28)18(3222(27)31)111343516(1013)301917(24)122521(23)2619h312H2H21H3b1811
MFCD06779543
ZINC000003769007
ZINC3769007
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