Vitas-M small molecule compound
4-butoxy-2,3-dinitrophenyl 4-methylbenzoate
Catalog ID
STK005592
SMILES CCCCOc1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])OC(=O)c1ccc(cc1)C
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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 C18H18N2O7 MW 374.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O7/c1-3-4-11-26-14-9-10-15(17(20(24)25)16(14)19(22)23)27-18(21)13-7-5-12(2)6-8-13/h5-10H,3-4,11H2,1-2H3InChIKey
BUBPWFXWOAVKGW-UHFFFAOYSA-NSynonyms
(4BUTOXY23DINITROPHENYL)4METHYLBENZOATE
4BUTOXY23DINITROPHENYL4METHYLBENZOATE
CCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C)(N+)(=O)(O))(N+)(=O)(O)
CCCCOc1ccc(c(c1(N+)(=O)(O))(N+)(=O)(O))OC(=O)c1ccc(cc1)C
InChI=1SC18H18N2O7c13411261491015(17(20(24)25)16(14)19(22)23)2718(21)137512(2)6813h510H3411H212H3
MFCD01246485
STK005592
ZINC000004550334
ZINC04550334
ZINC4550334
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Check stock on Vitas-MAvailable files
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