Vitas-M small molecule compound

(2E)-2-(2,4-dimethoxybenzylidene)-4,4-dimethyl-3-oxopentanenitrile

Catalog ID
STK139218
SMILES N#C/C(=C\c1ccc(cc1OC)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 C16H19NO3 MW 273.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO3/c1-16(2,3)15(18)12(10-17)8-11-6-7-13(19-4)9-14(11)20-5/h6-9H,1-5H3/b12-8+
InChIKey
YYDUOECQRVWVJI-XYOKQWHBSA-N
Synonyms

(2E)2((24DIMETHOXYPHENYL)METHYLIDENE)44DIMETHYL3OXOPENTANENITRILE
(2E)2(24DIMETHOXYBENZYLIDENE)44DIMETHYL3OXOPENTANENITRILE
CC(C)(C)C(=O)C(=CC1=C(C=C(C=C1)OC)OC)C#N
InChI=1SC16H19NO3c116(23)15(18)12(1017)8116713(194)914(11)205h69H15H3b128+
MFCD07833157
N#CC(=Cc1ccc(cc1OC)OC)C(=O)C(C)(C)C
ZINC000004681949
ZINC04681949
ZINC4681949

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Available files

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