Vitas-M small molecule compound

4-(1,3-dioxan-2-yl)-N-methyl-2-nitroaniline

Catalog ID
STK164592
SMILES CNc1ccc(cc1[N+](=O)[O-])C1OCCCO1

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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 C11H14N2O4 MW 238.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14N2O4/c1-12-9-4-3-8(7-10(9)13(14)15)11-16-5-2-6-17-11/h3-4,7,11-12H,2,5-6H2,1H3
InChIKey
LNPAOEXEJKMGBA-UHFFFAOYSA-N
Synonyms
385378-68-7
(4(13DIOXAN2YL)2NITROPHENYL)METHYLAMINE
385378687
4(13DIOXAN2YL)NMETHYL2NITROANILINE
BENZENAMINE4(13DIOXAN2YL)NMETHYL2NITRO
CNC1=C(C=C(C=C1)C2OCCCO2)(N+)(=O)(O)
CNc1ccc(cc1(N+)(=O)(O))C1OCCCO1
InChI=1SC11H14N2O4c1129438(710(9)13(14)15)11165261711h3471112H256H21H3
MFCD02625883
ZINC000004543839
ZINC04543839
ZINC4543839

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Available files

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