Vitas-M small molecule compound
butyl 4-{5-[(1Z)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Catalog ID
STK287013
SMILES CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(\C(=O)OCC)/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 C21H21NO5 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5/c1-3-5-12-26-20(23)16-8-6-15(7-9-16)19-11-10-18(27-19)13-17(14-22)21(24)25-4-2/h6-11,13H,3-5,12H2,1-2H3/b17-13-InChIKey
IKNWGGMEEKSGHG-LGMDPLHJSA-NSynonyms
butyl4(5((1Z)2cyano3ethoxy3oxoprop1en1yl)furan2yl)benzoate
BUTYL4(5((Z)2CYANO3ETHOXY3OXOPROP1ENYL)FURAN2YL)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)OCC
CCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)OCC)C#N
InChI=1SC21H21NO5c135122620(23)168615(7916)19111018(2719)1317(1422)21(24)2542h61113H3512H212H3b1713
MFCD04395008
ZINC000006323233
ZINC06323233
ZINC6323233
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