Vitas-M small molecule compound

N-(3-methoxypropyl)-3-methyl-2-nitrobenzamide

Catalog ID
STL261235
SMILES COCCCNC(=O)c1cccc(c1[N+](=O)[O-])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 C12H16N2O4 MW 252.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O4/c1-9-5-3-6-10(11(9)14(16)17)12(15)13-7-4-8-18-2/h3,5-6H,4,7-8H2,1-2H3,(H,13,15)
InChIKey
LOOOOSCCVWADHK-UHFFFAOYSA-N
Synonyms
600128-06-1
600128061
CC1=CC=CC(=C1(N+)(=O)(O))C(=O)NCCCOC
COCCCNC(=O)c1cccc(c1(N+)(=O)(O))C
InChI=1SC12H16N2O4c1953610(11(9)14(16)17)12(15)13748182h356H478H212H3(H1315)
MFCD03639420
N(3METHOXYPROPYL)(3METHYL2NITROPHENYL)CARBOXAMIDE
N(3methoxypropyl)3methyl2nitrobenzamide
ZINC000002827516
ZINC02827516
ZINC2827516

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.