Vitas-M small molecule compound
ethyl 6-amino-5-cyano-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STL173048
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)OC)OCc1cccc(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 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)18(12-29)22(21)16-8-9-19(20(11-16)32-3)34-13-15-6-5-7-17(10-15)25(26,27)28/h5-11,22H,4,13,30H2,1-3H3InChIKey
KLGOKFGWQHXKAR-UHFFFAOYSA-NSynonyms
398136-13-5398136135
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(F)(F)F)OC)C#N)N)C
ethyl6amino5cyano4(3methoxy4((3(trifluoromethyl)benzyl)oxy)phenyl)2methyl4Hpyran3carboxylate
ETHYL6AMINO5CYANO4(3METHOXY4((3(TRIFLUOROMETHYL)PHENYL)METHOXY)PHENYL)2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC25H23F3N2O5c143324(31)2114(2)3523(30)18(1229)22(21)168919(20(1116)323)34131565717(1015)25(2627)28h51122H41330H213H3
MFCD02175255
ZINC000000716146
ZINC000000716147
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