Vitas-M small molecule compound
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(5-methylfuran-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK544442
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(o1)C)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 C20H19N5O3 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3/c1-3-27-19(26)25-7-6-13-14(8-21)18(24)20(10-22,11-23)17(15(13)9-25)16-5-4-12(2)28-16/h4-6,15,17H,3,7,9,24H2,1-2H3/t15-,17-/m0/s1InChIKey
WPVQPXRSHYKSNH-RDJZCZTQSA-NSynonyms
488783-74-0(8R8aR)ethyl6amino577tricyano8(5methylfuran2yl)1788atetrahydroisoquinoline2(3H)carboxylate
488783740
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1ccc(o1)C)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(O3)C
ethyl(8R8aR)6amino577tricyano8(5methylfuran2yl)1388atetrahydroisoquinoline2carboxylate
ethyl(8R8aR)6amino577tricyano8(5methylfuran2yl)3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC20H19N5O3c132719(26)25761314(821)18(24)20(10221123)17(15(13)925)165412(2)2816h461517H37924H212H3t1517m0s1
MFCD18242149
ZINC000000803630
ZINC00803630
ZINC803630
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