Vitas-M small molecule compound

4-(azepan-1-yl)-3-nitrobenzamide

Catalog ID
STL419606
SMILES [O-][N+](=O)c1cc(ccc1N1CCCCCC1)C(=O)N

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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 C13H17N3O3 MW 263.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O3/c14-13(17)10-5-6-11(12(9-10)16(18)19)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H2,14,17)
InChIKey
JSIMBHAVKWNJLK-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(ccc1N1CCCCCC1)C(=O)N
4(1AZEPANYL)3NITROBENZAMIDE
4(azepan1yl)3nitrobenzamide
C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N)(N+)(=O)(O)
InChI=1SC13H17N3O3c1413(17)105611(12(910)16(18)19)1573124815h569H1478H2(H21417)
MFCD02577646
ZINC000004755416
ZINC04755416
ZINC4755416

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Available files

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