Vitas-M small molecule compound

benzyl (8R,8aR)-6-amino-8-(4-bromothiophen-2-yl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK538938
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1scc(c1)Br)(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 C24H18BrN5O2S MW 520.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18BrN5O2S/c25-16-8-20(33-12-16)21-19-10-30(23(31)32-11-15-4-2-1-3-5-15)7-6-17(19)18(9-26)22(29)24(21,13-27)14-28/h1-6,8,12,19,21H,7,10-11,29H2/t19-,21-/m0/s1
InChIKey
WUNFKBRCDYYWRY-FPOVZHCZSA-N
Synonyms
459154-49-5
(8R8aR)benzyl6amino8(4bromothiophen2yl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
459154495
benzyl(8R8aR)6amino8(4bromothiophen2yl)577tricyano1388atetrahydroisoquinoline2carboxylate
benzyl(8R8aR)6amino8(4bromothiophen2yl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC(=CS4)Br
InChI=1SC24H18BrN5O2Sc2516820(331216)21191030(23(31)3211154213515)7617(19)18(926)22(29)24(211327)1428h168121921H7101129H2t1921m0s1
MFCD18241726
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1scc(c1)Br)(C#N)C#N
ZINC000001895901
ZINC01895901
ZINC1895901

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Available files

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