Vitas-M small molecule compound

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

Catalog ID
STK136389
SMILES N#C/C(=C\c1cccc(c1OC)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)9-11-7-6-8-13(19-4)14(11)20-5/h6-9H,1-5H3/b12-9+
InChIKey
MWOAZVOZYDPWOR-FMIVXFBMSA-N
Synonyms

(2E)2((23DIMETHOXYPHENYL)METHYLIDENE)44DIMETHYL3OXOPENTANENITRILE
(2E)2(23DIMETHOXYBENZYLIDENE)44DIMETHYL3OXOPENTANENITRILE
CC(C)(C)C(=O)C(=CC1=C(C(=CC=C1)OC)OC)C#N
InChI=1SC16H19NO3c116(23)15(18)12(1017)91176813(194)14(11)205h69H15H3b129+
MFCD04503547
N#CC(=Cc1cccc(c1OC)OC)C(=O)C(C)(C)C
ZINC000004681224
ZINC04681224
ZINC4681224

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Available files

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