Vitas-M small molecule compound
3-{5-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoic acid
Catalog ID
STK661890
SMILES [O-][N+](=O)c1c(O)nc([nH]c1=O)/C=C\c1ccc(o1)c1cccc(c1)C(=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)16(22)19-13(18-15)7-5-11-4-6-12(27-11)9-2-1-3-10(8-9)17(23)24/h1-8H,(H,23,24)(H2,18,19,21,22)/b7-5-InChIKey
HHGFZWVOJVIELD-ALCCZGGFSA-NSynonyms
(O)(N+)(=O)c1c(O)nc((nH)c1=O)C=Cc1ccc(o1)c1cccc(c1)C(=O)O
3(5((Z)2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)ethenyl)furan2yl)benzoicacid
3(5((Z)2(4HYDROXY5NITRO6OXO1HPYRIMIDIN2YL)ETHENYL)FURAN2YL)BENZOICACID
C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
InChI=1SC17H11N3O7c211514(20(25)26)16(22)1913(1815)75114612(2711)921310(89)17(23)24h18H(H2324)(H218192122)b75
MFCD05992738
ZINC000016361626
ZINC16361626
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