Vitas-M small molecule compound
(8R,8aS)-6-amino-2-benzyl-8-(4-ethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK669725
SMILES CCOc1ccc(cc1)[C@H]1[C@@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1
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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 C27H25N5O MW 435.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O/c1-2-33-21-10-8-20(9-11-21)25-24-16-32(15-19-6-4-3-5-7-19)13-12-22(24)23(14-28)26(31)27(25,17-29)18-30/h3-12,24-25H,2,13,15-16,31H2,1H3/t24-,25+/m1/s1InChIKey
KGAJQDSHPQFHBL-RPBOFIJWSA-NSynonyms
(8R8aS)6amino2benzyl8(4ethoxyphenyl)1388atetrahydroisoquinoline577tricarbonitrile
(8R8aS)6amino2benzyl8(4ethoxyphenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
CCOC1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4
CCOc1ccc(cc1)(C@H)1(C@@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1
InChI=1SC27H25N5Oc12332110820(91121)25241632(15196435719)131222(24)23(1428)26(31)27(251729)1830h3122425H213151631H21H3t2425+m1s1
ZINC000021965788
ZINC21965788
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