Vitas-M small molecule compound

2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Catalog ID
STL173059
SMILES COc1cc(ccc1OCc1cccc(c1)C(F)(F)F)c1c2CCCCCc2nc(c1C#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 C26H24F3N3O2 MW 467.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24F3N3O2/c1-33-23-13-17(24-19-8-3-2-4-9-21(19)32-25(31)20(24)14-30)10-11-22(23)34-15-16-6-5-7-18(12-16)26(27,28)29/h5-7,10-13H,2-4,8-9,15H2,1H3,(H2,31,32)
InChIKey
KQILXJSFARCNMF-UHFFFAOYSA-N
Synonyms
380647-35-8
2amino4(3methoxy4((3(trifluoromethyl)benzyl)oxy)phenyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
2amino4(3methoxy4((3(trifluoromethyl)phenyl)methoxy)phenyl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
380647358
COC1=C(C=CC(=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N)OCC4=CC(=CC=C4)C(F)(F)F
InChI=1SC26H24F3N3O2c133231317(24198324921(19)3225(31)20(24)1430)101122(23)34151665718(1216)26(2728)29h571013H248915H21H3(H23132)
MFCD02175040
ZINC000019900778
ZINC19900778

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Available files

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