Vitas-M small molecule compound
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(pyridin-4-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK699613
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccncc1)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 C20H18N6O2 MW 374.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O2/c1-2-28-19(27)26-8-5-14-15(9-21)18(24)20(11-22,12-23)17(16(14)10-26)13-3-6-25-7-4-13/h3-7,16-17H,2,8,10,24H2,1H3/t16-,17+/m0/s1InChIKey
XFVGFOYOJCWHBZ-DLBZAZTESA-NSynonyms
351449-33-7(8S8aR)ethyl6amino577tricyano8(pyridin4yl)1788atetrahydroisoquinoline2(3H)carboxylate
351449337
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1ccncc1)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=NC=C3
ethyl(8S8aR)6amino577tricyano8(pyridin4yl)3788atetrahydroisoquinoline2(1H)carboxylate
ethyl(8S8aR)6amino577tricyano8pyridin4yl1388atetrahydroisoquinoline2carboxylate
InChI=1SC20H18N6O2c122819(27)26851415(921)18(24)20(11221223)17(16(14)1026)1336257413h371617H281024H21H3t1617+m0s1
ZINC000004457551
ZINC04457551
ZINC4457551
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