Vitas-M small molecule compound

ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,5-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK542317
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1cc(OC)ccc1OC)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 C23H23N5O4 MW 433.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O4/c1-4-32-22(29)28-8-7-15-17(10-24)21(27)23(12-25,13-26)20(18(15)11-28)16-9-14(30-2)5-6-19(16)31-3/h5-7,9,18,20H,4,8,11,27H2,1-3H3/t18-,20+/m0/s1
InChIKey
MZHIUBKIYFQJRU-AZUAARDMSA-N
Synonyms
488783-71-7
(8R8aR)ethyl6amino577tricyano8(25dimethoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
488783717
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1cc(OC)ccc1OC)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=C(C=CC(=C3)OC)OC
ethyl(8R8aR)6amino577tricyano8(25dimethoxyphenyl)1388atetrahydroisoquinoline2carboxylate
ethyl(8R8aR)6amino577tricyano8(25dimethoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC23H23N5O4c143222(29)28871517(1024)21(27)23(12251326)20(18(15)1128)16914(302)5619(16)313h5791820H481127H213H3t1820+m0s1
MFCD18241982
ZINC000006195027
ZINC06195027
ZINC6195027

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Available files

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