Vitas-M small molecule compound

N,N'-diethyl-N,N'-bis(2-methylphenyl)-5-nitrobenzene-1,3-dicarboxamide

Catalog ID
STK031880
SMILES CCN(c1ccccc1C)C(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N(c1ccccc1C)CC

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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 C26H27N3O4 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4/c1-5-27(23-13-9-7-11-18(23)3)25(30)20-15-21(17-22(16-20)29(32)33)26(31)28(6-2)24-14-10-8-12-19(24)4/h7-17H,5-6H2,1-4H3
InChIKey
PVINLPZAWNIYEL-UHFFFAOYSA-N
Synonyms

1N3NDIETHYL1N3NBIS(2METHYLPHENYL)5NITROBENZENE13DICARBOXAMIDE
CCN(C1=CC=CC=C1C)C(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)N(CC)C3=CC=CC=C3C
CCN(c1ccccc1C)C(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N(c1ccccc1C)CC
InChI=1SC26H27N3O4c1527(2313971118(23)3)25(30)201521(1722(1620)29(32)33)26(31)28(62)24141081219(24)4h717H56H214H3
MFCD02043905
N1N3DIETHYL5NITRON1N3BIS(2METHYLPHENYL)ISOPHTHALAMIDE
NNDIETHYL5NITRONNDIOTOLYLISOPHTHALAMIDE
NNDIETHYLNNBIS(2METHYLPHENYL)5NITROBENZENE13DICARBOXAMIDE
STK031880
ZINC000002063420
ZINC02063420
ZINC2063420

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Available files

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