Vitas-M small molecule compound
(8S,8aS)-6-amino-2-benzyl-8-(3-methylthiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK525295
SMILES N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)Cc1ccccc1)c1sccc1C)(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 C24H21N5S MW 411.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5S/c1-16-8-10-30-22(16)21-20-13-29(12-17-5-3-2-4-6-17)9-7-18(20)19(11-25)23(28)24(21,14-26)15-27/h2-8,10,20-21H,9,12-13,28H2,1H3/t20-,21-/m1/s1InChIKey
MNCYGFULLNDXMG-NHCUHLMSSA-NSynonyms
303101-69-1(8S8aS)6amino2benzyl8(3methylthiophen2yl)1388atetrahydroisoquinoline577tricarbonitrile
(8S8aS)6amino2benzyl8(3methylthiophen2yl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
303101691
CC1=C(SC=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4
InChI=1SC24H21N5Sc1168103022(16)21201329(12175324617)9718(20)19(1125)23(28)24(211426)1527h28102021H9121328H21H3t2021m1s1
N#CC1=C(N)C((C@H)((C@H)2C1=CCN(C2)Cc1ccccc1)c1sccc1C)(C#N)C#N
ZINC000000989233
ZINC00989233
ZINC989233
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