Vitas-M small molecule compound

methyl (2E)-2-cyano-3-(3-nitrophenyl)prop-2-enoate

Catalog ID
STK047664
SMILES N#C/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)OC

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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 C11H8N2O4 MW 232.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8N2O4/c1-17-11(14)9(7-12)5-8-3-2-4-10(6-8)13(15)16/h2-6H,1H3/b9-5+
InChIKey
FYSGZDRJAPWWTK-WEVVVXLNSA-N
Synonyms

3NITROALPHACYANOCINNAMICACIDMETHYLESTER
COC(=O)C(=CC1=CC(=CC=C1)(N+)(=O)(O))C#N
InChI=1SC11H8N2O4c11711(14)9(712)5832410(68)13(15)16h26H1H3b95+
METHYL(2E)2CYANO3(3NITROPHENYL)PROP2ENOATE
METHYL(E)2CYANO3(3NITROPHENYL)PROP2ENOATE
MFCD00630907
N#CC(=Cc1cccc(c1)(N+)(=O)(O))C(=O)OC
STK047664
ZINC000000587879
ZINC00587879
ZINC587879

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Available files

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