Vitas-M small molecule compound
(2E)-3-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-methoxyphenyl}-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
Catalog ID
STK698724
SMILES N#C/C(=C\c1ccc(c(c1)OC)Oc1nc(Cl)ncc1F)/C(=O)Nc1ccccc1OC
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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 C22H16ClFN4O4 MW 454.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClFN4O4/c1-30-17-6-4-3-5-16(17)27-20(29)14(11-25)9-13-7-8-18(19(10-13)31-2)32-21-15(24)12-26-22(23)28-21/h3-10,12H,1-2H3,(H,27,29)/b14-9+InChIKey
SIJUZMNLLUPJEA-NTEUORMPSA-NSynonyms
(2E)3(4((2chloro5fluoropyrimidin4yl)oxy)3methoxyphenyl)2cyanoN(2methoxyphenyl)prop2enamide
(E)3(4(2CHLORO5FLUOROPYRIMIDIN4YL)OXY3METHOXYPHENYL)2CYANON(2METHOXYPHENYL)PROP2ENAMIDE
(Z)3(4((2chloro5fluoropyrimidin4yl)oxy)3methoxyphenyl)2cyanoN(2methoxyphenyl)acrylamide
COC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OC3=NC(=NC=C3F)Cl)OC)C#N
InChI=1SC22H16ClFN4O4c13017643516(17)2720(29)14(1125)9137818(19(1013)312)322115(24)122622(23)2821h31012H12H3(H2729)b149+
MFCD13371067
N#CC(=Cc1ccc(c(c1)OC)Oc1nc(Cl)ncc1F)C(=O)Nc1ccccc1OC
ZINC000002311271
ZINC02311271
ZINC2311271
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