Vitas-M small molecule compound
(2E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}prop-2-enamide
Catalog ID
STK469953
SMILES N#C/C(=C\c1ccc(c(c1)Cn1nc(cc1C)C)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 C25H24N4O4 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4/c1-16-10-17(2)29(28-16)15-20-12-18(4-6-22(20)31-3)11-19(14-26)25(30)27-21-5-7-23-24(13-21)33-9-8-32-23/h4-7,10-13H,8-9,15H2,1-3H3,(H,27,30)/b19-11+InChIKey
WXVSRTOJXRDGPM-YBFXNURJSA-NSynonyms
(2E)2cyanoN(23dihydro14benzodioxin6yl)3(3((35dimethyl1Hpyrazol1yl)methyl)4methoxyphenyl)prop2enamide
(2E)N(2H3HBENZO(34E)14DIOXAN6YL)3(3((35DIMETHYLPYRAZOLYL)METHYL)4METHOXYPHENYL)2CYANOPROP2ENAMIDE
(E)2cyanoN(23dihydro14benzodioxin6yl)3(3((35dimethylpyrazol1yl)methyl)4methoxyphenyl)prop2enamide
CC1=CC(=NN1CC2=C(C=CC(=C2)C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCCO4)OC)C
InChI=1SC25H24N4O4c1161017(2)29(2816)15201218(4622(20)313)1119(1426)25(30)2721572324(1321)33983223h471013H8915H213H3(H2730)b1911+
MFCD07061718
N#CC(=Cc1ccc(c(c1)Cn1nc(cc1C)C)OC)C(=O)Nc1ccc2c(c1)OCCO2
ZINC000019640618
ZINC19640618
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