Vitas-M small molecule compound
4-(azepan-1-yl)-3-nitrobenzonitrile
Catalog ID
STK728164
SMILES N#Cc1ccc(c(c1)[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 C13H15N3O2 MW 245.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O2/c14-10-11-5-6-12(13(9-11)16(17)18)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2InChIKey
TZCQBTXJIYVHTO-UHFFFAOYSA-NSynonyms
380593-11-3380593113
4(azepan1yl)3nitrobenzonitrile
4AZAPERHYDROEPINYL3NITROBENZENECARBONITRILE
4AZEPAN1YL3NITROBENZONITRILE
C1CCCN(CC1)C2=C(C=C(C=C2)C#N)(N+)(=O)(O)
InChI=1SC13H15N3O2c1410115612(13(911)16(17)18)1573124815h569H1478H2
MFCD02990905
N#Cc1ccc(c(c1)(N+)(=O)(O))N1CCCCCC1
ZINC000004331722
ZINC04331722
ZINC4331722
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