Vitas-M small molecule compound

N,N'-bis(2-methyl-5-nitrophenyl)hexanediamide

Catalog ID
STK027549
SMILES O=C(Nc1cc(ccc1C)[N+](=O)[O-])CCCCC(=O)Nc1cc(ccc1C)[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 C20H22N4O6 MW 414.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O6/c1-13-7-9-15(23(27)28)11-17(13)21-19(25)5-3-4-6-20(26)22-18-12-16(24(29)30)10-8-14(18)2/h7-12H,3-6H2,1-2H3,(H,21,25)(H,22,26)
InChIKey
XNNWJNMJOQUACB-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CCCCC(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))C
InChI=1SC20H22N4O6c1137915(23(27)28)1117(13)2119(25)534620(26)22181216(24(29)30)10814(18)2h712H36H212H3(H2125)(H2226)
MFCD01055768
N(2METHYL5NITROPHENYL)N(2METHYL5NITROPHENYL)HEXANE16DIAMIDE
NNBIS(2METHYL5NITROPHENYL)HEXANEDIAMIDE
O=C(Nc1cc(ccc1C)(N+)(=O)(O))CCCCC(=O)Nc1cc(ccc1C)(N+)(=O)(O)
STK027549
ZINC000004195888
ZINC04195888
ZINC4195888

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Available files

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