Vitas-M small molecule compound
(5Z)-5-{3-bromo-5-methoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-3-ethyl-2-thioxoimidazolidin-4-one
Catalog ID
STL371623
SMILES CCN1C(=S)N/C(=C\c2cc(Br)c(c(c2)OC)OCc2cccc(c2)[N+](=O)[O-])/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 C20H18BrN3O5S MW 492.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O5S/c1-3-23-19(25)16(22-20(23)30)9-13-8-15(21)18(17(10-13)28-2)29-11-12-5-4-6-14(7-12)24(26)27/h4-10H,3,11H2,1-2H3,(H,22,30)/b16-9-InChIKey
SUIZDMHNXHAKPD-SXGWCWSVSA-NSynonyms
(5Z)5((3BROMO5METHOXY4((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)3ETHYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(3bromo5methoxy4((3nitrobenzyl)oxy)benzylidene)3ethyl2thioxoimidazolidin4one
CCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC3=CC(=CC=C3)(N+)(=O)(O))OC)NC1=S
CCN1C(=S)NC(=Cc2cc(Br)c(c(c2)OC)OCc2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC20H18BrN3O5Sc132319(25)16(2220(23)30)913815(21)18(17(1013)282)29111254614(712)24(26)27h410H311H212H3(H2230)b169
MFCD03711906
ZINC000009295983
ZINC9295983
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