Vitas-M small molecule compound
ethyl 6-amino-5-cyano-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STK961473
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)COc1cccc(c1)C(F)(F)F)OC)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 C25H23F3N2O5 MW 488.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23F3N2O5/c1-4-33-24(31)21-14(2)35-23(30)19(12-29)22(21)15-8-9-20(32-3)16(10-15)13-34-18-7-5-6-17(11-18)25(26,27)28/h5-11,22H,4,13,30H2,1-3H3InChIKey
MRHHAFBSYPOUOC-UHFFFAOYSA-NSynonyms
445240-25-5445240255
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)COC3=CC=CC(=C3)C(F)(F)F)C#N)N)C
ethyl6amino5cyano4(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)2methyl4Hpyran3carboxylate
InChI=1SC25H23F3N2O5c143324(31)2114(2)3523(30)19(1229)22(21)158920(323)16(1015)13341875617(1118)25(2627)28h51122H41330H213H3
MFCD02374252
ZINC000001003292
ZINC000008454616
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