Vitas-M small molecule compound

(2E)-2-cyano-3-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Catalog ID
STK473631
SMILES N#C/C(=C\c1ccc(c(c1)COc1ccc(cc1F)F)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 C26H20F2N2O5 MW 478.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20F2N2O5/c1-32-22-5-2-16(11-18(22)15-35-23-6-3-19(27)12-21(23)28)10-17(14-29)26(31)30-20-4-7-24-25(13-20)34-9-8-33-24/h2-7,10-13H,8-9,15H2,1H3,(H,30,31)/b17-10+
InChIKey
RJHKIGOULCOZRJ-LICLKQGHSA-N
Synonyms

(2E)2cyano3(3((24difluorophenoxy)methyl)4methoxyphenyl)N(23dihydro14benzodioxin6yl)prop2enamide
(2E)N(2H3HBENZO(34E)14DIOXAN6YL)3(3((24DIFLUOROPHENOXY)METHYL)4METHOXYPHENYL)2CYANOPROP2ENAMIDE
(E)2cyano3(3((24difluorophenoxy)methyl)4methoxyphenyl)N(23dihydro14benzodioxin6yl)prop2enamide
COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)COC4=C(C=C(C=C4)F)F
InChI=1SC26H20F2N2O5c132225216(1118(22)1535236319(27)1221(23)28)1017(1429)26(31)3020472425(1320)34983324h271013H8915H21H3(H3031)b1710+
MFCD06169816
N#CC(=Cc1ccc(c(c1)COc1ccc(cc1F)F)OC)C(=O)Nc1ccc2c(c1)OCCO2
ZINC000020258613
ZINC20258613

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Available files

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