Vitas-M small molecule compound

ethyl (5Z)-2-methyl-5-(3-nitrobenzylidene)-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK160095
SMILES CCOC(=O)C1=C(C)N/C(=C\c2cccc(c2)[N+](=O)[O-])/C1=O

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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 C15H14N2O5 MW 302.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O5/c1-3-22-15(19)13-9(2)16-12(14(13)18)8-10-5-4-6-11(7-10)17(20)21/h4-8,16H,3H2,1-2H3/b12-8-
InChIKey
SAVDWZBTNLVTRN-WQLSENKSSA-N
Synonyms

CCOC(=O)C1=C(C)NC(=Cc2cccc(c2)(N+)(=O)(O))C1=O
CCOC(=O)C1=C(NC(=CC2=CC(=CC=C2)(N+)(=O)(O))C1=O)C
ETHYL(5Z)2METHYL5((3NITROPHENYL)METHYLIDENE)4OXO1HPYRROLE3CARBOXYLATE
ETHYL(5Z)2METHYL5(3NITROBENZYLIDENE)4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC15H14N2O5c132215(19)139(2)1612(14(13)18)81054611(710)17(20)21h4816H3H212H3b128
MFCD01988436
ZINC000018265397
ZINC18265397

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Available files

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