Vitas-M small molecule compound
5-{(1E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenyl 4-methoxybenzoate
Catalog ID
STK680661
SMILES COc1ccc(cc1)C(=O)Oc1cc(ccc1OC)/C=C(/C(=O)Nc1ccc(cc1)F)\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 C25H19FN2O5 MW 446.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19FN2O5/c1-31-21-10-4-17(5-11-21)25(30)33-23-14-16(3-12-22(23)32-2)13-18(15-27)24(29)28-20-8-6-19(26)7-9-20/h3-14H,1-2H3,(H,28,29)/b18-13+InChIKey
RKIBQJXGECSVOJ-QGOAFFKASA-NSynonyms
(5((E)2CYANO3(4FLUOROANILINO)3OXOPROP1ENYL)2METHOXYPHENYL)4METHOXYBENZOATE
5((1E)2cyano3((4fluorophenyl)amino)3oxoprop1en1yl)2methoxyphenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)F)OC
COc1ccc(cc1)C(=O)Oc1cc(ccc1OC)C=C(C(=O)Nc1ccc(cc1)F)C#N
InChI=1SC25H19FN2O5c1312110417(51121)25(30)33231416(31222(23)322)1318(1527)24(29)28208619(26)7920h314H12H3(H2829)b1813+
MFCD03158076
ZINC000012590303
ZINC12590303
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