Vitas-M small molecule compound
methyl 4-(azepan-1-yl)-3-nitrobenzoate
Catalog ID
STL182535
SMILES COC(=O)c1ccc(c(c1)[N+](=O)[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/c1-20-14(17)11-6-7-12(13(10-11)16(18)19)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3InChIKey
UHYAOUFSSHUAKG-UHFFFAOYSA-NSynonyms
1038176-72-51038176725
COC(=O)C1=CC(=C(C=C1)N2CCCCCC2)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCCCC1
InChI=1SC14H18N2O4c12014(17)116712(13(1011)16(18)19)1584235915h6710H2589H21H3
methyl4(azepan1yl)3nitrobenzoate
MFCD11240227
ZINC000005710900
ZINC5710900
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