Vitas-M small molecule compound
(5E)-5-{3-bromo-5-ethoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-3-ethylimidazolidine-2,4-dione
Catalog ID
STK190252
SMILES CCOc1cc(/C=C\2/NC(=O)N(C2=O)CC)cc(c1OCc1cccc(c1)[N+](=O)[O-])Br
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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 C21H20BrN3O6 MW 490.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O6/c1-3-24-20(26)17(23-21(24)27)10-14-9-16(22)19(18(11-14)30-4-2)31-12-13-6-5-7-15(8-13)25(28)29/h5-11H,3-4,12H2,1-2H3,(H,23,27)/b17-10+InChIKey
MLRGLJAUGIMGME-LICLKQGHSA-NSynonyms
(5E)5((3bromo5ethoxy4((3nitrophenyl)methoxy)phenyl)methylidene)3ethylimidazolidine24dione
(5E)5(3BROMO5ETHOXY4((3NITROBENZYL)OXY)BENZYLIDENE)3ETHYLIMIDAZOLIDINE24DIONE
CCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC3=CC(=CC=C3)(N+)(=O)(O))OCC)NC1=O
CCOc1cc(C=C2NC(=O)N(C2=O)CC)cc(c1OCc1cccc(c1)(N+)(=O)(O))Br
InChI=1SC21H20BrN3O6c132420(26)17(2321(24)27)1014916(22)19(18(1114)3042)31121365715(813)25(28)29h511H3412H212H3(H2327)b1710+
MFCD07546791
ZINC000009908230
ZINC09908230
ZINC9908230
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