Vitas-M small molecule compound

(2E)-2-{4-methoxy-3-[(2-nitrophenoxy)methyl]benzylidene}-4,4-dimethyl-3-oxopentanenitrile

Catalog ID
STK482091
SMILES N#C/C(=C\c1ccc(c(c1)COc1ccccc1[N+](=O)[O-])OC)/C(=O)C(C)(C)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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-22(2,3)21(25)16(13-23)11-15-9-10-19(28-4)17(12-15)14-29-20-8-6-5-7-18(20)24(26)27/h5-12H,14H2,1-4H3/b16-11+
InChIKey
YOGTXSOHTZQZIF-LFIBNONCSA-N
Synonyms

(2E)2((4methoxy3((2nitrophenoxy)methyl)phenyl)methylidene)44dimethyl3oxopentanenitrile
(2E)2(22DIMETHYLPROPANOYL)3(4METHOXY3((2NITROPHENOXY)METHYL)PHENYL)PROP2ENENITRILE
(2E)2(4methoxy3((2nitrophenoxy)methyl)benzylidene)44dimethyl3oxopentanenitrile
CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)OC)COC2=CC=CC=C2(N+)(=O)(O))C#N
InChI=1SC22H22N2O5c122(23)21(25)16(1323)111591019(284)17(1215)142920865718(20)24(26)27h512H14H214H3b1611+
MFCD07091756
N#CC(=Cc1ccc(c(c1)COc1ccccc1(N+)(=O)(O))OC)C(=O)C(C)(C)C
ZINC000013322521
ZINC13322521

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Available files

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