Vitas-M small molecule compound
(5E)-5-(4-hydroxy-3-nitrobenzylidene)-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375231
SMILES CCCN1C(=S)N/C(=C/c2ccc(c(c2)[N+](=O)[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 C13H13N3O4S MW 307.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4S/c1-2-5-15-12(18)9(14-13(15)21)6-8-3-4-11(17)10(7-8)16(19)20/h3-4,6-7,17H,2,5H2,1H3,(H,14,21)/b9-6+InChIKey
IGUFQQSYVBYOES-RMKNXTFCSA-NSynonyms
(5E)5((4hydroxy3nitrophenyl)methylidene)3propyl2sulfanylideneimidazolidin4one
(5E)5(4hydroxy3nitrobenzylidene)3propyl2thioxoimidazolidin4one
CCCN1C(=O)C(=CC2=CC(=C(C=C2)O)(N+)(=O)(O))NC1=S
CCCN1C(=S)NC(=Cc2ccc(c(c2)(N+)(=O)(O))O)C1=O
InChI=1SC13H13N3O4Sc1251512(18)9(1413(15)21)683411(17)10(78)16(19)20h346717H25H21H3(H1421)b96+
MFCD28950979
ZINC000103791272
ZINC103791272
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