Vitas-M small molecule compound
(5Z)-5-{3-bromo-4-[(3-fluorobenzyl)oxy]benzylidene}-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375248
SMILES CCCN1C(=S)N/C(=C\c2ccc(c(c2)Br)OCc2cccc(c2)F)/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 C20H18BrFN2O2S MW 449.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrFN2O2S/c1-2-8-24-19(25)17(23-20(24)27)11-13-6-7-18(16(21)10-13)26-12-14-4-3-5-15(22)9-14/h3-7,9-11H,2,8,12H2,1H3,(H,23,27)/b17-11-InChIKey
JPAYKCWXIYEJJF-BOPFTXTBSA-NSynonyms
(5Z)5((3BROMO4((3FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)3PROPYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(3bromo4((3fluorobenzyl)oxy)benzylidene)3propyl2thioxoimidazolidin4one
CCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)F)Br)NC1=S
CCCN1C(=S)NC(=Cc2ccc(c(c2)Br)OCc2cccc(c2)F)C1=O
InChI=1SC20H18BrFN2O2Sc1282419(25)17(2320(24)27)11136718(16(21)1013)26121443515(22)914h37911H2812H21H3(H2327)b1711
MFCD04086890
ZINC000003662973
ZINC03662973
ZINC3662973
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