Vitas-M small molecule compound

(8S,8aR)-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STK998977
SMILES CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CNCC=C2C(=C(C1(C#N)C#N)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 C22H23N5O2 MW 389.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2/c1-3-28-18-6-5-14(9-19(18)29-4-2)20-17-11-27-8-7-15(17)16(10-23)21(26)22(20,12-24)13-25/h5-7,9,17,20,27H,3-4,8,11,26H2,1-2H3/t17-,20+/m0/s1
InChIKey
FKXPWVPIALHDDX-FXAWDEMLSA-N
Synonyms
494792-11-9
(8S8aR)6amino8(34diethoxyphenyl)2388atetrahydro1Hisoquinoline577tricarbonitrile
(8S8aR)6amino8(34diethoxyphenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
494792119
CCOC1=C(C=C(C=C1)C2C3CNCC=C3C(=C(C2(C#N)C#N)N)C#N)OCC
CCOc1cc(ccc1OCC)(C@@H)1(C@H)2CNCC=C2C(=C(C1(C#N)C#N)N)C#N
InChI=1SC22H23N5O2c1328186514(919(18)2942)201711278715(17)16(1023)21(26)22(201224)1325h579172027H3481126H212H3t1720+m0s1
ZINC000020083397
ZINC20083397

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Available files

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