Vitas-M small molecule compound
(5Z)-5-{5-bromo-2-[(3-nitrobenzyl)oxy]benzylidene}-3-ethyl-1-methyl-2-thioxoimidazolidin-4-one
Catalog ID
STL369710
SMILES CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(c2)[N+](=O)[O-])/N(C1=S)C
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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 C20H18BrN3O4S MW 476.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O4S/c1-3-23-19(25)17(22(2)20(23)29)11-14-10-15(21)7-8-18(14)28-12-13-5-4-6-16(9-13)24(26)27/h4-11H,3,12H2,1-2H3/b17-11-InChIKey
HUKUWZYPBIBHGA-BOPFTXTBSA-NSynonyms
(5Z)5((5BROMO2((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)3ETHYL1METHYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(5bromo2((3nitrobenzyl)oxy)benzylidene)3ethyl1methyl2thioxoimidazolidin4one
CCN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC(=CC=C3)(N+)(=O)(O))N(C1=S)C
CCN1C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(c2)(N+)(=O)(O))N(C1=S)C
InChI=1SC20H18BrN3O4Sc132319(25)17(22(2)20(23)29)11141015(21)7818(14)28121354616(913)24(26)27h411H312H212H3b1711
MFCD03716125
ZINC000001111922
ZINC01111922
ZINC1111922
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