Vitas-M small molecule compound
(5E)-5-[3-(2,4-dinitrophenoxy)benzylidene]-2-thioxoimidazolidin-4-one
Catalog ID
STL428160
SMILES S=C1NC(=O)/C(=C\c2cccc(c2)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/N1
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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 C16H10N4O6S MW 386.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10N4O6S/c21-15-12(17-16(27)18-15)7-9-2-1-3-11(6-9)26-14-5-4-10(19(22)23)8-13(14)20(24)25/h1-8H,(H2,17,18,21,27)/b12-7+InChIKey
HUFKRHZQKCUAPG-KPKJPENVSA-NSynonyms
(5E)5((3(24DINITROPHENOXY)PHENYL)METHYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5E)5(3(24dinitrophenoxy)benzylidene)2thioxoimidazolidin4one
5((3(24DINITROPHENOXY)PHENYL)METHYLENE)2THIOXO13DIAZOLIDIN4ONE
5(3(24DINITROPHENOXY)BENZYLIDENE)2THIOXOIMIDAZOLIDIN4ONE
C1=CC(=CC(=C1)OC2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))C=C3C(=O)NC(=S)N3
InChI=1SC16H10N4O6Sc211512(1716(27)1815)7921311(69)26145410(19(22)23)813(14)20(24)25h18H(H217182127)b127+
MFCD00295471
S=C1NC(=O)C(=Cc2cccc(c2)Oc2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))N1
ZINC000009296682
ZINC9296682
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