Vitas-M small molecule compound

5-(azepan-1-yl)-N-methyl-2-nitroaniline

Catalog ID
STK205900
SMILES CNc1cc(ccc1[N+](=O)[O-])N1CCCCCC1

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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 C13H19N3O2 MW 249.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N3O2/c1-14-12-10-11(6-7-13(12)16(17)18)15-8-4-2-3-5-9-15/h6-7,10,14H,2-5,8-9H2,1H3
InChIKey
SNMRCULYPMIJCM-UHFFFAOYSA-N
Synonyms
717830-74-5
5(1AZEPANYL)NMETHYL2NITROANILINE
5(AZEPAN1YL)NMETHYL2NITROANILINE
717830745
CNC1=C(C=CC(=C1)N2CCCCCC2)(N+)(=O)(O)
CNc1cc(ccc1(N+)(=O)(O))N1CCCCCC1
InChI=1SC13H19N3O2c114121011(6713(12)16(17)18)1584235915h671014H2589H21H3
MFCD05838569
ZINC000004740907
ZINC04740907
ZINC4740907

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Available files

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