Vitas-M small molecule compound

N,N'-bis[2-(4-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide

Catalog ID
STK733093
SMILES Cc1ccc(cc1)OCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NCCOc1ccc(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 C26H27N3O6 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O6/c1-18-3-7-23(8-4-18)34-13-11-27-25(30)20-15-21(17-22(16-20)29(32)33)26(31)28-12-14-35-24-9-5-19(2)6-10-24/h3-10,15-17H,11-14H2,1-2H3,(H,27,30)(H,28,31)
InChIKey
IESBTURUBOXZOG-UHFFFAOYSA-N
Synonyms

1N3NBIS(2(4METHYLPHENOXY)ETHYL)5NITROBENZENE13DICARBOXAMIDE
CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)NCCOC3=CC=C(C=C3)C
Cc1ccc(cc1)OCCNC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NCCOc1ccc(cc1)C
InChI=1SC26H27N3O6c1183723(8418)3413112725(30)201521(1722(1620)29(32)33)26(31)28121435249519(2)61024h3101517H1114H212H3(H2730)(H2831)
MFCD01234053
NNbis(2(4methylphenoxy)ethyl)5nitrobenzene13dicarboxamide
NNBIS(2(4METHYLPHENOXY)ETHYL)5NITROISOPHTHALAMIDE
ZINC000008690731
ZINC08690731
ZINC8690731

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Available files

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