Vitas-M small molecule compound

2-{4-[(8S)-6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl]-2-methoxyphenoxy}acetamide

Catalog ID
STK539216
SMILES N#CC1=C(N)C([C@@H](C2C1=CCN(C2)C)c1ccc(c(c1)OC)OCC(=O)N)(C#N)C#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 C22H22N6O3 MW 418.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O3/c1-28-6-5-14-15(8-23)21(27)22(11-24,12-25)20(16(14)9-28)13-3-4-17(18(7-13)30-2)31-10-19(26)29/h3-5,7,16,20H,6,9-10,27H2,1-2H3,(H2,26,29)/t16?,20-/m1/s1
InChIKey
UQIOGVFRHKAQFD-OTOKDRCRSA-N
Synonyms
494791-99-0
2(4((8S)6amino577tricyano2methyl123788ahexahydroisoquinolin8yl)2methoxyphenoxy)acetamide
2(4((8S)6amino577tricyano2methyl1388atetrahydroisoquinolin8yl)2methoxyphenoxy)acetamide
494791990
CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OCC(=O)N)OC
InChI=1SC22H22N6O3c128651415(823)21(27)22(11241225)20(16(14)928)133417(18(713)302)311019(26)29h3571620H691027H212H3(H22629)t16?20m1s1
MFCD18241745
N#CC1=C(N)C((C@@H)(C2C1=CCN(C2)C)c1ccc(c(c1)OC)OCC(=O)N)(C#N)C#N
ZINC000004813378
ZINC000004813380

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Available files

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