Vitas-M small molecule compound

(8S,8aS)-6-amino-2-methyl-8-(5-nitrothiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STK524322
SMILES N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)C)c1ccc(s1)[N+](=O)[O-])(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 C17H14N6O2S MW 366.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N6O2S/c1-22-5-4-10-11(6-18)16(21)17(8-19,9-20)15(12(10)7-22)13-2-3-14(26-13)23(24)25/h2-4,12,15H,5,7,21H2,1H3/t12-,15-/m1/s1
InChIKey
HUFASBBJGJDBAN-IUODEOHRSA-N
Synonyms
305383-92-0
(8S8aS)6amino2methyl8(5nitrothiophen2yl)1388atetrahydroisoquinoline577tricarbonitrile
(8S8aS)6amino2methyl8(5nitrothiophen2yl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
305383920
CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(S3)(N+)(=O)(O)
InChI=1SC17H14N6O2Sc122541011(618)16(21)17(819920)15(12(10)722)132314(2613)23(24)25h241215H5721H21H3t1215m1s1
N#CC1=C(N)C((C@H)((C@H)2C1=CCN(C2)C)c1ccc(s1)(N+)(=O)(O))(C#N)C#N
ZINC000004730728
ZINC04730728
ZINC4730728

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Available files

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