Vitas-M small molecule compound

(8S,8aS)-6-amino-2-benzyl-8-(2-chloro-6-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STK526621
SMILES N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)Cc1ccccc1)c1c(F)cccc1Cl)(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 C25H19ClFN5 MW 443.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClFN5/c26-20-7-4-8-21(27)22(20)23-19-13-32(12-16-5-2-1-3-6-16)10-9-17(19)18(11-28)24(31)25(23,14-29)15-30/h1-9,19,23H,10,12-13,31H2/t19-,23-/m1/s1
InChIKey
KKOWHDSONFZAPL-AUSIDOKSSA-N
Synonyms
303012-38-6
(8S8aS)6amino2benzyl8(2chloro6fluorophenyl)1388atetrahydroisoquinoline577tricarbonitrile
(8S8aS)6amino2benzyl8(2chloro6fluorophenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
303012386
C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=C(C=CC=C4Cl)F
InChI=1SC25H19ClFN5c262074821(27)22(20)23191332(12165213616)10917(19)18(1128)24(31)25(231429)1530h191923H10121331H2t1923m1s1
N#CC1=C(N)C((C@H)((C@H)2C1=CCN(C2)Cc1ccccc1)c1c(F)cccc1Cl)(C#N)C#N
ZINC000020813094
ZINC20813094

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Available files

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