Vitas-M small molecule compound
(2E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{2-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}prop-2-enamide
Catalog ID
STK472687
SMILES N#C/C(=C\c1cccc(c1OCc1ccccc1F)OC)/C(=O)Nc1ccc2c(c1)OCCO2
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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/c1-31-23-8-4-6-17(25(23)34-16-18-5-2-3-7-21(18)27)13-19(15-28)26(30)29-20-9-10-22-24(14-20)33-12-11-32-22/h2-10,13-14H,11-12,16H2,1H3,(H,29,30)/b19-13+InChIKey
SXYDDICRAWYQHB-CPNJWEJPSA-NSynonyms
(2E)2cyanoN(23dihydro14benzodioxin6yl)3(2((2fluorobenzyl)oxy)3methoxyphenyl)prop2enamide
(E)2cyanoN(23dihydro14benzodioxin6yl)3(2((2fluorophenyl)methoxy)3methoxyphenyl)prop2enamide
COC1=CC=CC(=C1OCC2=CC=CC=C2F)C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCCO4
InChI=1SC26H21FN2O5c1312384617(25(23)341618523721(18)27)1319(1528)26(30)29209102224(1420)3312113222h2101314H111216H21H3(H2930)b1913+
MFCD07092804
N#CC(=Cc1cccc(c1OCc1ccccc1F)OC)C(=O)Nc1ccc2c(c1)OCCO2
ZINC000020274645
ZINC20274645
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