Vitas-M small molecule compound

ethyl 1-[(2E)-3-(2-nitrophenyl)prop-2-enoyl]piperidine-3-carboxylate

Catalog ID
STK323194
SMILES CCOC(=O)C1CCCN(C1)C(=O)/C=C/c1ccccc1[N+](=O)[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 C17H20N2O5 MW 332.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O5/c1-2-24-17(21)14-7-5-11-18(12-14)16(20)10-9-13-6-3-4-8-15(13)19(22)23/h3-4,6,8-10,14H,2,5,7,11-12H2,1H3/b10-9+
InChIKey
XRGRYVGJDVRJPA-MDZDMXLPSA-N
Synonyms

CCOC(=O)C1CCCN(C1)C(=O)C=Cc1ccccc1(N+)(=O)(O)
CCOC(=O)C1CCCN(C1)C(=O)C=CC2=CC=CC=C2(N+)(=O)(O)
ethyl1((2E)3(2nitrophenyl)prop2enoyl)piperidine3carboxylate
ETHYL1((E)3(2NITROPHENYL)PROP2ENOYL)PIPERIDINE3CARBOXYLATE
ETHYL1(3(2NITROPHENYL)ACRYLOYL)3PIPERIDINECARBOXYLATE
InChI=1SC17H20N2O5c122417(21)14751118(1214)16(20)10913634815(13)19(22)23h34681014H2571112H21H3b109+
MFCD03639029
ZINC000000464222
ZINC000000464227

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Available files

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