Vitas-M small molecule compound

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

Catalog ID
STK958730
SMILES CCOC(=O)C1(C#N)C(=C2CCCCC2C(C1=O)c1ccccc1)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 C21H20N2O3 MW 348.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3/c1-2-26-20(25)21(13-23)17(12-22)15-10-6-7-11-16(15)18(19(21)24)14-8-4-3-5-9-14/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3
InChIKey
UOSFJDGSTWTMSR-UHFFFAOYSA-N
Synonyms
1005239-49-5
1005239495
CCOC(=O)C1(C(=C2CCCCC2C(C1=O)C3=CC=CC=C3)C#N)C#N
ethyl12dicyano3oxo4phenyl2344a5678octahydronaphthalene2carboxylate
ethyl12dicyano3oxo4phenyl44a5678hexahydronaphthalene2carboxylate
InChI=1SC21H20N2O3c122620(25)21(1323)17(1222)1510671116(15)18(19(21)24)148435914h35891618H2671011H21H3
MFCD01949528
ZINC000004910830
ZINC000245247524

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Available files

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