Vitas-M small molecule compound

6-amino-8-(3,4-difluorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STL333919
SMILES CCN1CC=C2C(C1)C(c1ccc(c(c1)F)F)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 C20H17F2N5 MW 365.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F2N5/c1-2-27-6-5-13-14(8-23)19(26)20(10-24,11-25)18(15(13)9-27)12-3-4-16(21)17(22)7-12/h3-5,7,15,18H,2,6,9,26H2,1H3
InChIKey
YXDSZISETFFJSC-UHFFFAOYSA-N
Synonyms

(8S8aR)6amino8(34difluorophenyl)2ethyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
6amino8(34difluorophenyl)2ethyl1388atetrahydroisoquinoline577tricarbonitrile
6amino8(34difluorophenyl)2ethyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
CCN1CC=C2(C@H)(C1)(C@@H)(c1ccc(c(c1)F)F)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)F)F
InChI=1SC20H17F2N5c1227651314(823)19(26)20(10241125)18(15(13)927)123416(21)17(22)712h3571518H26926H21H3
MFCD05240355
ZINC000004453561
ZINC000033936234

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Available files

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