Vitas-M small molecule compound
ethyl 2-(3-methyl-4-nitrophenoxy)butanoate
Catalog ID
STK439800
SMILES CCOC(=O)C(Oc1ccc(c(c1)C)[N+](=O)[O-])CC
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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 C13H17NO5 MW 267.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO5/c1-4-12(13(15)18-5-2)19-10-6-7-11(14(16)17)9(3)8-10/h6-8,12H,4-5H2,1-3H3InChIKey
IITDUAIXGOWKJS-UHFFFAOYSA-NSynonyms
CCC(C(=O)OCC)OC1=CC(=C(C=C1)(N+)(=O)(O))C
CCOC(=O)C(Oc1ccc(c(c1)C)(N+)(=O)(O))CC
ethyl2(3methyl4nitrophenoxy)butanoate
InChI=1SC13H17NO5c1412(13(15)1852)19106711(14(16)17)9(3)810h6812H45H213H3
MFCD03945982
ZINC000006596280
ZINC000006603641
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