Vitas-M small molecule compound
3-{5-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid
Catalog ID
STK605047
SMILES Oc1nc(/C=C/c2ccc(o2)c2cccc(c2)C(=O)O)c(c(n1)O)[N+](=O)[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 C17H11N3O7 MW 369.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N3O7/c21-15-14(20(25)26)12(18-17(24)19-15)6-4-11-5-7-13(27-11)9-2-1-3-10(8-9)16(22)23/h1-8H,(H,22,23)(H2,18,19,21,24)/b6-4+InChIKey
LFLKMCIKENDCDD-GQCTYLIASA-NSynonyms
701939-59-53(5((1E)2(26DIHYDROXY5NITROPYRIMIDIN4YL)VINYL)2FURYL)BENZOICACID
3(5((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)furan2yl)benzoicacid
3(5((E)2(5NITRO24DIOXO1HPYRIMIDIN6YL)ETHENYL)FURAN2YL)BENZOICACID
701939595
InChI=1SC17H11N3O7c211514(20(25)26)12(1817(24)1915)64115713(2711)921310(89)16(22)23h18H(H2223)(H218192124)b64+
MFCD06249998
Oc1nc(C=Cc2ccc(o2)c2cccc(c2)C(=O)O)c(c(n1)O)(N+)(=O)(O)
ZINC000013592481
ZINC13592481
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