Vitas-M small molecule compound
(5E)-5-{2-[(4-nitrobenzyl)oxy]benzylidene}-2-thioxoimidazolidin-4-one
Catalog ID
STL428174
SMILES S=C1N/C(=C/c2ccccc2OCc2ccc(cc2)[N+](=O)[O-])/C(=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 C17H13N3O4S MW 355.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O4S/c21-16-14(18-17(25)19-16)9-12-3-1-2-4-15(12)24-10-11-5-7-13(8-6-11)20(22)23/h1-9H,10H2,(H2,18,19,21,25)/b14-9+InChIKey
JXQBSAJWWSYQLE-NTEUORMPSA-NSynonyms
(5E)5((2((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5E)5(2((4nitrobenzyl)oxy)benzylidene)2thioxoimidazolidin4one
C1=CC=C(C(=C1)C=C2C(=O)NC(=S)N2)OCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H13N3O4Sc211614(1817(25)1916)912312415(12)2410115713(8611)20(22)23h19H10H2(H218192125)b149+
MFCD04083182
S=C1NC(=Cc2ccccc2OCc2ccc(cc2)(N+)(=O)(O))C(=O)N1
ZINC000001205370
ZINC1205370
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