Vitas-M small molecule compound
(2E)-3-{3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-4-methoxyphenyl}-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
Catalog ID
STK393909
SMILES N#C/C(=C\c1ccc(c(c1)Oc1nc(Cl)ncc1F)OC)/C(=O)Nc1ccc(cc1)Cl
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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 C21H13Cl2FN4O3 MW 459.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13Cl2FN4O3/c1-30-17-7-2-12(9-18(17)31-20-16(24)11-26-21(23)28-20)8-13(10-25)19(29)27-15-5-3-14(22)4-6-15/h2-9,11H,1H3,(H,27,29)/b13-8+InChIKey
KYTIBDVTSPVIHJ-MDWZMJQESA-NSynonyms
(2E)3(3((2chloro5fluoropyrimidin4yl)oxy)4methoxyphenyl)N(4chlorophenyl)2cyanoprop2enamide
(2E)3(3(2CHLORO5FLUOROPYRIMIDIN4YLOXY)4METHOXYPHENYL)N(4CHLOROPHENYL)2CYANOPROP2ENAMIDE
(E)3(3(2CHLORO5FLUOROPYRIMIDIN4YL)OXY4METHOXYPHENYL)N(4CHLOROPHENYL)2CYANOPROP2ENAMIDE
COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)OC3=NC(=NC=C3F)Cl
InChI=1SC21H13Cl2FN4O3c130177212(918(17)312016(24)112621(23)2820)813(1025)19(29)27155314(22)4615h2911H1H3(H2729)b138+
MFCD03649003
N#CC(=Cc1ccc(c(c1)Oc1nc(Cl)ncc1F)OC)C(=O)Nc1ccc(cc1)Cl
ZINC000008722638
ZINC08722638
ZINC8722638
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