Vitas-M small molecule compound
ethyl 2,4-dicyano-3-oxo-1-phenyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2-carboxylate
Catalog ID
STK723444
SMILES CCOC(=O)C1(C#N)C(c2ccccc2)C2CCCCC2=C(C1=O)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)18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(12-22)19(21)24/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3InChIKey
JPWFTLNBFYFNII-UHFFFAOYSA-NSynonyms
CCOC(=O)C1(C(C2CCCCC2=C(C1=O)C#N)C3=CC=CC=C3)C#N
ethyl24dicyano3oxo1phenyl12356788aoctahydronaphthalene2carboxylate
ethyl24dicyano3oxo1phenyl156788ahexahydronaphthalene2carboxylate
InChI=1SC21H20N2O3c122620(25)21(1323)18(148435914)1611761015(16)17(1222)19(21)24h35891618H2671011H21H3
MFCD00517431
ZINC000000028091
ZINC000245227569
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