Vitas-M small molecule compound

2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Catalog ID
STK957502
SMILES COc1ccc(cc1COCC(F)(F)F)c1c2CCCCCCc2nc(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 C22H24F3N3O2 MW 419.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24F3N3O2/c1-29-19-9-8-14(10-15(19)12-30-13-22(23,24)25)20-16-6-4-2-3-5-7-18(16)28-21(27)17(20)11-26/h8-10H,2-7,12-13H2,1H3,(H2,27,28)
InChIKey
GCXHZYWRVVBBJH-UHFFFAOYSA-N
Synonyms
352687-19-5
2amino4(4methoxy3((222trifluoroethoxy)methyl)phenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
2AMINO4(4METHOXY3((222TRIFLUOROETHOXY)METHYL)PHENYL)5H6H7H8H9H10HCYCLOOCTA(B)PYRIDINE3CARBONITRILE
2amino4(4methoxy3(222trifluoroethoxymethyl)phenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
352687195
COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)COCC(F)(F)F
InChI=1SC22H24F3N3O2c129199814(1015(19)12301322(2324)25)201664235718(16)2821(27)17(20)1126h810H271213H21H3(H22728)
MFCD01449803
ZINC000036042405
ZINC36042405

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Available files

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