Vitas-M small molecule compound

ethyl 3,3-dicyano-2-oxo-4-phenyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-1-carboxylate

Catalog ID
STK528279
SMILES CCOC(=O)C1=C2CCCCC2C(C(C1=O)(C#N)C#N)c1ccccc1

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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 C21H20N2O3 MW 348.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3/c1-2-26-20(25)17-15-10-6-7-11-16(15)18(14-8-4-3-5-9-14)21(12-22,13-23)19(17)24/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3
InChIKey
REIBZBDQMVFGEB-UHFFFAOYSA-N
Synonyms
375351-50-1
375351501
CCOC(=O)C1=C2CCCCC2C(C(C1=O)(C#N)C#N)C3=CC=CC=C3
ethyl33dicyano2oxo4phenyl2344a5678octahydronaphthalene1carboxylate
ethyl33dicyano2oxo4phenyl44a5678hexahydronaphthalene1carboxylate
InChI=1SC21H20N2O3c122620(25)171510671116(15)18(148435914)21(12221323)19(17)24h35891618H2671011H21H3
MFCD01943928
ZINC000000507106
ZINC000000507109

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Available files

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