Vitas-M small molecule compound

benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK541024
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccoc1)(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 C24H19N5O3 MW 425.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N5O3/c25-10-19-18-6-8-29(23(30)32-12-16-4-2-1-3-5-16)11-20(18)21(17-7-9-31-13-17)24(14-26,15-27)22(19)28/h1-7,9,13,20-21H,8,11-12,28H2/t20-,21+/m0/s1
InChIKey
ZFLYQONGSNXNIJ-LEWJYISDSA-N
Synonyms
459155-62-5
(8R8aR)benzyl6amino577tricyano8(furan3yl)1788atetrahydroisoquinoline2(3H)carboxylate
459155625
benzyl(8R8aR)6amino577tricyano8(furan3yl)1388atetrahydroisoquinoline2carboxylate
benzyl(8R8aR)6amino577tricyano8(furan3yl)3788atetrahydroisoquinoline2(1H)carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=COC=C4
InChI=1SC24H19N5O3c251019186829(23(30)3212164213516)1120(18)21(1779311317)24(14261527)22(19)28h179132021H8111228H2t2021+m0s1
MFCD18241869
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccoc1)(C#N)C#N
ZINC000006446605
ZINC06446605
ZINC6446605

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Available files

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