Vitas-M small molecule compound
azepan-1-yl(4-bromo-3-nitrophenyl)methanone
Catalog ID
STK257655
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Br)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 C13H15BrN2O3 MW 327.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15BrN2O3/c14-11-6-5-10(9-12(11)16(18)19)13(17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2InChIKey
BCEBANVBEBKMCK-UHFFFAOYSA-NSynonyms
353466-49-61(4BROMO3NITROBENZOYL)AZEPANE
353466496
AZEPAN1YL(4BROMO3NITROPHENYL)METHANONE
C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Br)(N+)(=O)(O)
InChI=1SC13H15BrN2O3c14116510(912(11)16(18)19)13(17)1573124815h569H1478H2
MFCD02325928
O=C(c1ccc(c(c1)(N+)(=O)(O))Br)N1CCCCCC1
ZINC000000457582
ZINC00457582
ZINC457582
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