Vitas-M small molecule compound
azepan-1-yl(4-methyl-3,5-dinitrophenyl)methanone
Catalog ID
STL382930
SMILES O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)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 C14H17N3O5 MW 307.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O5/c1-10-12(16(19)20)8-11(9-13(10)17(21)22)14(18)15-6-4-2-3-5-7-15/h8-9H,2-7H2,1H3InChIKey
HVGZUZKKILXTGJ-UHFFFAOYSA-NSynonyms
331719-36-91(35BISNITRO4METHYLBENZOYL)AZEPANE
331719369
AZAPERHYDROEPINYL4METHYL35DINITROPHENYLKETONE
azepan1yl(4methyl35dinitrophenyl)methanone
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)N2CCCCCC2)(N+)(=O)(O)
InChI=1SC14H17N3O5c11012(16(19)20)811(913(10)17(21)22)14(18)1564235715h89H27H21H3
MFCD01078888
O=C(c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)N1CCCCCC1
ZINC000002056247
ZINC02056247
ZINC2056247
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