Vitas-M small molecule compound

hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate)

Catalog ID
STK528210
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCC#CC#CCOC(=O)c1ccc(cc1)[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 C20H12N2O8 MW 408.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N2O8/c23-19(15-5-9-17(10-6-15)21(25)26)29-13-3-1-2-4-14-30-20(24)16-7-11-18(12-8-16)22(27)28/h5-12H,13-14H2
InChIKey
FLZSRDMSJNSSTP-UHFFFAOYSA-N
Synonyms
107817-50-5
107817505
6(4NITROBENZOYL)OXYHEXA24DIYNYL4NITROBENZOATE
C1=CC(=CC=C1C(=O)OCC#CC#CCOC(=O)C2=CC=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
hexa24diyne16diylbis(4nitrobenzoate)
InChI=1SC20H12N2O8c2319(155917(10615)21(25)26)29133124143020(24)1671118(12816)22(27)28h512H1314H2
MFCD00698152
O=C(c1ccc(cc1)(N+)(=O)(O))OCC#CC#CCOC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000002289206
ZINC02289206
ZINC2289206

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Available files

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