Vitas-M small molecule compound
ethyl 2-(4-methyl-2-nitrophenoxy)butanoate
Catalog ID
STK439780
SMILES CCOC(=O)C(Oc1ccc(cc1[N+](=O)[O-])C)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/c1-4-11(13(15)18-5-2)19-12-7-6-9(3)8-10(12)14(16)17/h6-8,11H,4-5H2,1-3H3InChIKey
GFMDTNGUFXRIQR-UHFFFAOYSA-NSynonyms
CCC(C(=O)OCC)OC1=C(C=C(C=C1)C)(N+)(=O)(O)
CCOC(=O)C(Oc1ccc(cc1(N+)(=O)(O))C)CC
ethyl2(4methyl2nitrophenoxy)butanoate
InChI=1SC13H17NO5c1411(13(15)1852)1912769(3)810(12)14(16)17h6811H45H213H3
MFCD03945986
ZINC000006596283
ZINC000006603644
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