Vitas-M small molecule compound
(5Z)-5-(4-hydroxy-3-nitrobenzylidene)-3-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
Catalog ID
STK014516
SMILES COc1ccc(cc1)N1C(=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 C17H13N3O5S MW 371.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S/c1-25-12-5-3-11(4-6-12)19-16(22)13(18-17(19)26)8-10-2-7-15(21)14(9-10)20(23)24/h2-9,21H,1H3,(H,18,26)/b13-8-InChIKey
DXISIYMKYAGJJK-JYRVWZFOSA-NSynonyms
(5Z)5((4HYDROXY3NITROPHENYL)METHYLIDENE)3(4METHOXYPHENYL)2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(4HYDROXY3NITROBENZYLIDENE)3(4METHOXYPHENYL)2THIOXOIMIDAZOLIDIN4ONE
5(4HYDROXY3NITROBENZYLIDENE)3(4METHOXYPHENYL)2THIOXO4IMIDAZOLIDINONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)(N+)(=O)(O))NC2=S
COc1ccc(cc1)N1C(=S)NC(=Cc2ccc(c(c2)(N+)(=O)(O))O)C1=O
InChI=1SC17H13N3O5Sc125125311(4612)1916(22)13(1817(19)26)8102715(21)14(910)20(23)24h2921H1H3(H1826)b138
MFCD03032382
STK014516
ZINC000002898852
ZINC2898852
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