Vitas-M small molecule compound

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

Catalog ID
STK526793
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)Cc1ccccc1)c1ccc(cc1)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 C27H24N6O2 MW 464.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N6O2/c28-12-22-21-10-11-33(13-18-4-2-1-3-5-18)14-23(21)25(27(16-29,17-30)26(22)32)19-6-8-20(9-7-19)35-15-24(31)34/h1-10,23,25H,11,13-15,32H2,(H2,31,34)/t23-,25+/m0/s1
InChIKey
OMDGBCBKXZNJBW-UKILVPOCSA-N
Synonyms
413576-66-6
2(4((8S8aR)6amino2benzyl577tricyano123788ahexahydroisoquinolin8yl)phenoxy)acetamide
2(4((8S8aR)6amino2benzyl577tricyano1388atetrahydroisoquinolin8yl)phenoxy)acetamide
413576666
C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)OCC(=O)N
InChI=1SC27H24N6O2c28122221101133(13184213518)1423(21)25(27(16291730)26(22)32)196820(9719)351524(31)34h1102325H11131532H2(H23134)t2325+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)Cc1ccccc1)c1ccc(cc1)OCC(=O)N)(C#N)C#N
ZINC000019597404
ZINC19597404

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Available files

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