Vitas-M small molecule compound

(2E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-methylprop-2-enamide

Catalog ID
STK108212
SMILES CNC(=O)/C(=C/c1ccc(cc1)OCC(=O)N)/C#N

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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 C13H13N3O3 MW 259.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3/c1-16-13(18)10(7-14)6-9-2-4-11(5-3-9)19-8-12(15)17/h2-6H,8H2,1H3,(H2,15,17)(H,16,18)/b10-6+
InChIKey
ATRXXSJUBNLQET-UXBLZVDNSA-N
Synonyms

(2E)3(4(2AMINO2OXOETHOXY)PHENYL)2CYANONMETHYLPROP2ENAMIDE
(E)3(4(2AMINO2OXOETHOXY)PHENYL)2CYANONMETHYLPROP2ENAMIDE
CNC(=O)C(=CC1=CC=C(C=C1)OCC(=O)N)C#N
CNC(=O)C(=Cc1ccc(cc1)OCC(=O)N)C#N
InChI=1SC13H13N3O3c11613(18)10(714)692411(539)19812(15)17h26H8H21H3(H21517)(H1618)b106+
MFCD03240444
ZINC000000563716
ZINC00563716
ZINC563716

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Available files

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