Vitas-M small molecule compound
(5E)-5-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-2-thioxoimidazolidin-4-one
Catalog ID
STL428210
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\1/NC(=S)NC1=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 C17H12N4O7S MW 416.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O7S/c1-27-15-7-9(6-11-16(22)19-17(29)18-11)2-4-14(15)28-13-5-3-10(20(23)24)8-12(13)21(25)26/h2-8H,1H3,(H2,18,19,22,29)/b11-6+InChIKey
OMDUEQZJHOAMNO-IZZDOVSWSA-NSynonyms
(5E)5((4(24DINITROPHENOXY)3METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5E)5(4(24dinitrophenoxy)3methoxybenzylidene)2thioxoimidazolidin4one
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N2)OC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C=C1NC(=S)NC1=O
InChI=1SC17H12N4O7Sc1271579(61116(22)1917(29)1811)2414(15)28135310(20(23)24)812(13)21(25)26h28H1H3(H218192229)b116+
MFCD01126312
ZINC000009296716
ZINC9296716
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