Vitas-M small molecule compound

ethyl (8S,8aR)-6-amino-8-(biphenyl-4-yl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK699852
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(cc1)c1ccccc1)C(C(=C2C#N)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 C27H23N5O2 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O2/c1-2-34-26(33)32-13-12-21-22(14-28)25(31)27(16-29,17-30)24(23(21)15-32)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-12,23-24H,2,13,15,31H2,1H3/t23-,24+/m0/s1
InChIKey
AZJGSANPDAJKLX-BJKOFHAPSA-N
Synonyms
293728-05-9
(8S8aR)ethyl8((11biphenyl)4yl)6amino577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
293728059
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1ccc(cc1)c1ccccc1)C(C(=C2C#N)N)(C#N)C#N
CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C4=CC=CC=C4
ethyl(8S8aR)6amino577tricyano8(4phenylphenyl)1388atetrahydroisoquinoline2carboxylate
ethyl(8S8aR)6amino8(biphenyl4yl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC27H23N5O2c123426(33)3213122122(1428)25(31)27(16291730)24(23(21)1532)2010819(91120)186435718h3122324H2131531H21H3t2324+m0s1
ZINC000006195033
ZINC06195033
ZINC6195033

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Available files

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