Vitas-M small molecule compound

benzyl (8S,8aR)-6-amino-8-(3-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK023440
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccc(c1)Cl)(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 C26H20ClN5O2 MW 469.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN5O2/c27-19-8-4-7-18(11-19)23-22-13-32(25(33)34-14-17-5-2-1-3-6-17)10-9-20(22)21(12-28)24(31)26(23,15-29)16-30/h1-9,11,22-23H,10,13-14,31H2/t22-,23+/m0/s1
InChIKey
BQMUHWORHIZDNO-XZOQPEGZSA-N
Synonyms
303980-49-6
(8S8aR)benzyl6amino8(3chlorophenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
303980496
benzyl(8S8aR)6amino8(3chlorophenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
benzyl(8S8aR)6amino8(3chlorophenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC(=CC=C4)Cl
InChI=1SC26H20ClN5O2c271984718(1119)23221332(25(33)3414175213617)10920(22)21(1228)24(31)26(231529)1630h19112223H10131431H2t2223+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccc(c1)Cl)(C#N)C#N
STK023440
ZINC000008441956
ZINC08441956
ZINC8441956

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Available files

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