Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-yl)-4H-pyran-3-carboxylate
Catalog ID
STK961131
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(o1)COc1cccc(c1)C(F)(F)F)C#N)N
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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 C22H19F3N2O5 MW 448.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N2O5/c1-3-29-21(28)18-12(2)31-20(27)16(10-26)19(18)17-8-7-15(32-17)11-30-14-6-4-5-13(9-14)22(23,24)25/h4-9,19H,3,11,27H2,1-2H3InChIKey
QTTZYWDQGLENNY-UHFFFAOYSA-NSynonyms
515857-69-9515857699
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(O2)COC3=CC=CC(=C3)C(F)(F)F)C#N)N)C
ETHYL6AMINO5CYANO2METHYL4(5((3(TRIFLUOROMETHYL)PHENOXY)METHYL)2FURYL)4HPYRAN3CARBOXYLATE
ethyl6amino5cyano2methyl4(5((3(trifluoromethyl)phenoxy)methyl)furan2yl)4Hpyran3carboxylate
InChI=1SC22H19F3N2O5c132921(28)1812(2)3120(27)16(1026)19(18)178715(3217)11301464513(914)22(2324)25h4919H31127H212H3
MFCD02243992
ZINC000000649250
ZINC000002769921
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