Vitas-M small molecule compound
2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Catalog ID
STK960778
SMILES COc1ccc(cc1COc1ccc(cc1)Cl)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 C26H26ClN3O2 MW 447.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O2/c1-31-24-13-8-17(14-18(24)16-32-20-11-9-19(27)10-12-20)25-21-6-4-2-3-5-7-23(21)30-26(29)22(25)15-28/h8-14H,2-7,16H2,1H3,(H2,29,30)InChIKey
WPJKKRRYFBKTIB-UHFFFAOYSA-NSynonyms
445031-85-62amino4(3((4chlorophenoxy)methyl)4methoxyphenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
445031856
COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)COC4=CC=C(C=C4)Cl
InChI=1SC26H26ClN3O2c1312413817(1418(24)16322011919(27)101220)252164235723(21)3026(29)22(25)1528h814H2716H21H3(H22930)
MFCD02175902
ZINC000035363244
ZINC35363244
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