Vitas-M small molecule compound
6-amino-2-ethyl-8-[4-(methylsulfanyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK757374
SMILES CCN1CC=C2C(C1)C(c1ccc(cc1)SC)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 C21H21N5S MW 375.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5S/c1-3-26-9-8-16-17(10-22)20(25)21(12-23,13-24)19(18(16)11-26)14-4-6-15(27-2)7-5-14/h4-8,18-19H,3,9,11,25H2,1-2H3InChIKey
GGBSXWZQGOBIFI-UHFFFAOYSA-NSynonyms
(8S8aR)6amino2ethyl8(4(methylthio)phenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
6amino2ethyl8(4(methylsulfanyl)phenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
6amino2ethyl8(4methylsulfanylphenyl)1388atetrahydroisoquinoline577tricarbonitrile
CCN1CC=C2(C@H)(C1)(C@@H)(c1ccc(cc1)SC)C(C(=C2C#N)N)(C#N)C#N
CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)SC
InChI=1SC21H21N5Sc1326981617(1022)20(25)21(12231324)19(18(16)1126)144615(272)7514h481819H391125H212H3
MFCD01242796
ZINC000004457873
ZINC000019758361
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