Vitas-M small molecule compound
benzyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Catalog ID
STK755002
SMILES N#CC1=C(N)OC(=C(C1c1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1)C
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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 C22H17F3N2O3 MW 414.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N2O3/c1-13-18(21(28)29-12-14-5-3-2-4-6-14)19(17(11-26)20(27)30-13)15-7-9-16(10-8-15)22(23,24)25/h2-10,19H,12,27H2,1H3InChIKey
FAVPWIOAYOWVSE-UHFFFAOYSA-NSynonyms
311326-69-9311326699
benzyl6amino5cyano2methyl4(4(trifluoromethyl)phenyl)4Hpyran3carboxylate
CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3
InChI=1SC22H17F3N2O3c11318(21(28)2912145324614)19(17(1126)20(27)3013)157916(10815)22(2324)25h21019H1227H21H3
MFCD00827102
ZINC000000706060
ZINC000000706061
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