Vitas-M small molecule compound
(5Z)-5-{5-bromo-2-[(4-fluorobenzyl)oxy]benzylidene}-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STK100723
SMILES CCCN1C(=S)N/C(=C\c2cc(Br)ccc2OCc2ccc(cc2)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/c1-2-9-24-19(25)17(23-20(24)27)11-14-10-15(21)5-8-18(14)26-12-13-3-6-16(22)7-4-13/h3-8,10-11H,2,9,12H2,1H3,(H,23,27)/b17-11-InChIKey
UNRQEFZVEKGCNT-BOPFTXTBSA-NSynonyms
(5Z)5((5BROMO2((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)3PROPYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(5BROMO2((4FLUOROBENZYL)OXY)BENZYLIDENE)3PROPYL2THIOXOIMIDAZOLIDIN4ONE
CCCN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F)NC1=S
CCCN1C(=S)NC(=Cc2cc(Br)ccc2OCc2ccc(cc2)F)C1=O
InChI=1SC20H18BrFN2O2Sc1292419(25)17(2320(24)27)11141015(21)5818(14)2612133616(22)7413h381011H2912H21H3(H2327)b1711
MFCD04086909
ZINC000003662847
ZINC03662847
ZINC3662847
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