Vitas-M small molecule compound
2-chloro-4-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoic acid
Catalog ID
STK743683
SMILES [O-][N+](=O)c1c(O)nc([nH]c1=O)/C=C/c1ccc(o1)c1ccc(c(c1)Cl)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 C17H10ClN3O7 MW 403.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10ClN3O7/c18-11-7-8(1-4-10(11)17(24)25)12-5-2-9(28-12)3-6-13-19-15(22)14(21(26)27)16(23)20-13/h1-7H,(H,24,25)(H2,19,20,22,23)/b6-3+InChIKey
HXOAKJKRZHYZEY-ZZXKWVIFSA-NSynonyms
824946-31-8(E)2chloro4(5(2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)vinyl)furan2yl)benzoicacid
(O)(N+)(=O)c1c(O)nc((nH)c1=O)C=Cc1ccc(o1)c1ccc(c(c1)Cl)C(=O)O
2chloro4(5((E)2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)ethenyl)furan2yl)benzoicacid
2CHLORO4(5((E)2(4HYDROXY5NITRO6OXO1HPYRIMIDIN2YL)ETHENYL)FURAN2YL)BENZOICACID
C1=CC(=C(C=C1C2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O)Cl)C(=O)O
InChI=1SC17H10ClN3O7c181178(1410(11)17(24)25)12529(2812)36131915(22)14(21(26)27)16(23)2013h17H(H2425)(H219202223)b63+
MFCD06621558
ZINC9187572
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