Vitas-M small molecule compound
[2-(4-methoxyphenyl)-5,7-dinitro-1-benzofuran-3-yl]acetic acid
Catalog ID
STL510026
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)O)cc(cc2[N+](=O)[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 C17H12N2O8 MW 372.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O8/c1-26-11-4-2-9(3-5-11)16-13(8-15(20)21)12-6-10(18(22)23)7-14(19(24)25)17(12)27-16/h2-7H,8H2,1H3,(H,20,21)InChIKey
BRLWOLIXURDFFX-UHFFFAOYSA-NSynonyms
(2(4methoxyphenyl)57dinitro1benzofuran3yl)aceticacid
134716964
2(2(4methoxyphenyl)57dinitro1benzofuran3yl)aceticacid
2(2(4methoxyphenyl)57dinitrobenzofuran3yl)aceticacid
COc1ccc(cc1)c1oc2c(c1CC(=O)O)cc(cc2(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H12N2O8c12611429(3511)1613(815(20)21)12610(18(22)23)714(19(24)25)17(12)2716h27H8H21H3(H2021)
MFCD31711134
ZINC001772491311
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