Vitas-M small molecule compound

azepan-1-yl(4-methoxy-3-nitrophenyl)methanone

Catalog ID
STK046743
SMILES COc1ccc(cc1[N+](=O)[O-])C(=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 C14H18N2O4 MW 278.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O4/c1-20-13-7-6-11(10-12(13)16(18)19)14(17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
InChIKey
NPYAPIUCPYXJRT-UHFFFAOYSA-N
Synonyms
328259-58-1
1((4METHOXY3NITROPHENYL)CARBONYL)AZEPANE
1(3NITRO4METHOXYBENZOYL)AZEPANE
328259581
AZAPERHYDROEPINYL4METHOXY3NITROPHENYLKETONE
AZEPAN1YL(4METHOXY3NITROPHENYL)METHANONE
COC1=C(C=C(C=C1)C(=O)N2CCCCCC2)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)N1CCCCCC1
InChI=1SC14H18N2O4c120137611(1012(13)16(18)19)14(17)1584235915h6710H2589H21H3
MFCD01216445
STK046743
ZINC000000103418
ZINC00103418
ZINC103418

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Available files

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