Vitas-M small molecule compound
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK541302
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1cccc(c1)O)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 C21H19N5O3 MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3/c1-2-29-20(28)26-7-6-15-16(9-22)19(25)21(11-23,12-24)18(17(15)10-26)13-4-3-5-14(27)8-13/h3-6,8,17-18,27H,2,7,10,25H2,1H3/t17-,18+/m0/s1InChIKey
YHOIIWHLEKDMFC-ZWKOTPCHSA-NSynonyms
459147-50-3(8S8aR)ethyl6amino577tricyano8(3hydroxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
459147503
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1cccc(c1)O)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(=CC=C3)O
ethyl(8S8aR)6amino577tricyano8(3hydroxyphenyl)1388atetrahydroisoquinoline2carboxylate
ethyl(8S8aR)6amino577tricyano8(3hydroxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC21H19N5O3c122920(28)26761516(922)19(25)21(11231224)18(17(15)1026)1343514(27)813h368171827H271025H21H3t1718+m0s1
MFCD18241889
ZINC000004452917
ZINC04452917
ZINC4452917
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