Vitas-M small molecule compound

N-(3-butoxyphenyl)-3-methyl-4-nitrobenzamide

Catalog ID
STK757867
SMILES CCCCOc1cccc(c1)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]

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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 C18H20N2O4 MW 328.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O4/c1-3-4-10-24-16-7-5-6-15(12-16)19-18(21)14-8-9-17(20(22)23)13(2)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,21)
InChIKey
CQUWMEVEBRARMG-UHFFFAOYSA-N
Synonyms
313250-82-7
313250827
CCCCOC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)(N+)(=O)(O))C
CCCCOc1cccc(c1)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC18H20N2O4c13410241675615(1216)1918(21)148917(20(22)23)13(2)1114h591112H3410H212H3(H1921)
MFCD01004963
N(3BUTOXYPHENYL)(3METHYL4NITROPHENYL)CARBOXAMIDE
N(3butoxyphenyl)3methyl4nitrobenzamide
ZINC000004278954
ZINC04278954
ZINC4278954

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Available files

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