Vitas-M small molecule compound

3,6-dibutoxybenzene-1,2-dicarbonitrile

Catalog ID
STK076214
SMILES CCCCOc1ccc(c(c1C#N)C#N)OCCCC

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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 C16H20N2O2 MW 272.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O2/c1-3-5-9-19-15-7-8-16(20-10-6-4-2)14(12-18)13(15)11-17/h7-8H,3-6,9-10H2,1-2H3
InChIKey
RJFAMAFEWDBSLX-UHFFFAOYSA-N
Synonyms
75942-37-9
12BENZENEDICARBONITRILE36DIBUTOXY
36DIBUTOXY12BENZENEDICARBONITRILE
36DIBUTOXYBENZENE12DICARBONITRILE
36DIBUTOXYPHTHALONITRILE
75942379
CCCCOC1=C(C(=C(C=C1)OCCCC)C#N)C#N
CCCCOc1ccc(c(c1C#N)C#N)OCCCC
InChI=1SC16H20N2O2c135919157816(2010642)14(1218)13(15)1117h78H36910H212H3
MFCD00134586
STK076214
ZINC000002504734
ZINC02504734
ZINC2504734

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Available files

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