Vitas-M small molecule compound
ethyl 4-{5-[(1E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Catalog ID
STK362441
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)NC1CCCC1)\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 C22H22N2O4 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4/c1-2-27-22(26)16-9-7-15(8-10-16)20-12-11-19(28-20)13-17(14-23)21(25)24-18-5-3-4-6-18/h7-13,18H,2-6H2,1H3,(H,24,25)/b17-13+InChIKey
UABIPCJPGPQWEQ-GHRIWEEISA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3CCCC3
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)NC1CCCC1)C#N
ETHYL4(5((1E)2CYANO3(CYCLOPENTYLAMINO)3OXOPROP1EN1YL)FURAN2YL)BENZOATE
ETHYL4(5((E)2CYANO3(CYCLOPENTYLAMINO)3OXOPROP1ENYL)FURAN2YL)BENZOATE
InChI=1SC22H22N2O4c122722(26)169715(81016)20121119(2820)1317(1423)21(25)2418534618h71318H26H21H3(H2425)b1713+
MFCD06144753
ZINC000014178455
ZINC14178455
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