Vitas-M small molecule compound

1-[2-nitro-5-(piperazin-1-yl)phenyl]azepane

Catalog ID
STK206027
SMILES [O-][N+](=O)c1ccc(cc1N1CCCCCC1)N1CCNCC1

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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 C16H24N4O2 MW 304.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24N4O2/c21-20(22)15-6-5-14(18-11-7-17-8-12-18)13-16(15)19-9-3-1-2-4-10-19/h5-6,13,17H,1-4,7-12H2
InChIKey
SXABAOBUANMHHV-UHFFFAOYSA-N
Synonyms
939955-27-8
(O)(N+)(=O)c1ccc(cc1N1CCCCCC1)N1CCNCC1
1(2NITRO5(PIPERAZIN1YL)PHENYL)AZEPANE
1(2NITRO5PIPERAZIN1YLPHENYL)AZEPANE
939955278
C1CCCN(CC1)C2=C(C=CC(=C2)N3CCNCC3)(N+)(=O)(O)
InChI=1SC16H24N4O2c2120(22)156514(181171781218)1316(15)19931241019h561317H14712H2
MFCD06666759
ZINC000004740955
ZINC4740955

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Available files

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