Vitas-M small molecule compound
(5Z)-5-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375188
SMILES CCCN1C(=S)N/C(=C\c2cc(Cl)c(c(c2)OCC)OCc2ccccc2F)/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 C22H22ClFN2O3S MW 448.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClFN2O3S/c1-3-9-26-21(27)18(25-22(26)30)11-14-10-16(23)20(19(12-14)28-4-2)29-13-15-7-5-6-8-17(15)24/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,25,30)/b18-11-InChIKey
JEDJWGLBAIESET-WQRHYEAKSA-NSynonyms
(5Z)5((3CHLORO5ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)3PROPYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(3chloro5ethoxy4((2fluorobenzyl)oxy)benzylidene)3propyl2thioxoimidazolidin4one
CCCN1C(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3F)OCC)NC1=S
CCCN1C(=S)NC(=Cc2cc(Cl)c(c(c2)OCC)OCc2ccccc2F)C1=O
InChI=1SC22H22ClFN2O3Sc1392621(27)18(2522(26)30)11141016(23)20(19(1214)2842)291315756817(15)24h581012H34913H212H3(H2530)b1811
MFCD04086986
ZINC000003662839
ZINC03662839
ZINC3662839
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