Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(2-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl 4-methoxybenzoate
Catalog ID
STK522762
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)OC)/C=C(/C(=O)Nc1ccccc1F)\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 C26H21FN2O5 MW 460.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN2O5/c1-3-33-24-15-17(14-19(16-28)25(30)29-22-7-5-4-6-21(22)27)8-13-23(24)34-26(31)18-9-11-20(32-2)12-10-18/h4-15H,3H2,1-2H3,(H,29,30)/b19-14+InChIKey
AHKKZABPUSTHRD-XMHGGMMESA-NSynonyms
(4((E)2CYANO3(2FLUOROANILINO)3OXOPROP1ENYL)2ETHOXYPHENYL)4METHOXYBENZOATE
4((1E)2cyano3((2fluorophenyl)amino)3oxoprop1en1yl)2ethoxyphenyl4methoxybenzoate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2F)OC(=O)C3=CC=C(C=C3)OC
CCOc1cc(ccc1OC(=O)c1ccc(cc1)OC)C=C(C(=O)Nc1ccccc1F)C#N
InChI=1SC26H21FN2O5c1333241517(1419(1628)25(30)2922754621(22)27)81323(24)3426(31)1891120(322)121018h415H3H212H3(H2930)b1914+
MFCD03155304
ZINC000001439491
ZINC01439491
ZINC1439491
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