Vitas-M small molecule compound

ethyl 2-methyl-2-(3-methyl-4-nitrophenoxy)propanoate

Catalog ID
STK435876
SMILES CCOC(=O)C(Oc1ccc(c(c1)C)[N+](=O)[O-])(C)C

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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/c1-5-18-12(15)13(3,4)19-10-6-7-11(14(16)17)9(2)8-10/h6-8H,5H2,1-4H3
InChIKey
IKJOEMNXIBNMFE-UHFFFAOYSA-N
Synonyms

CCOC(=O)C(C)(C)OC1=CC(=C(C=C1)(N+)(=O)(O))C
CCOC(=O)C(Oc1ccc(c(c1)C)(N+)(=O)(O))(C)C
ethyl2methyl2(3methyl4nitrophenoxy)propanoate
InChI=1SC13H17NO5c151812(15)13(34)19106711(14(16)17)9(2)810h68H5H214H3
MFCD03943909
ZINC000006655347
ZINC06655347
ZINC6655347

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.