Vitas-M small molecule compound
ethyl 5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Catalog ID
STK783471
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)C(F)(F)F)C#N)n1cccc1
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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 C21H17F3N2O3 MW 402.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N2O3/c1-3-28-20(27)17-13(2)29-19(26-10-4-5-11-26)16(12-25)18(17)14-6-8-15(9-7-14)21(22,23)24/h4-11,18H,3H2,1-2H3InChIKey
VKBASNDJTRCQEZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(F)(F)F)C#N)N3C=CC=C3)C
ethyl5cyano2methyl6(1Hpyrrol1yl)4(4(trifluoromethyl)phenyl)4Hpyran3carboxylate
ETHYL5CYANO2METHYL6PYRROL1YL4(4(TRIFLUOROMETHYL)PHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC21H17F3N2O3c132820(27)1713(2)2919(2610451126)16(1225)18(17)146815(9714)21(2223)24h41118H3H212H3
MFCD06618289
ZINC000004751313
ZINC000004751314
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