Vitas-M small molecule compound
(8S,8aR)-6-amino-2-benzyl-8-(4-methoxynaphthalen-1-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK539738
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)Cc1ccccc1)c1ccc(c2c1cccc2)OC)(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 C30H25N5O MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O/c1-36-27-12-11-24(21-9-5-6-10-23(21)27)28-26-17-35(16-20-7-3-2-4-8-20)14-13-22(26)25(15-31)29(34)30(28,18-32)19-33/h2-13,26,28H,14,16-17,34H2,1H3/t26-,28+/m0/s1InChIKey
NNXRKVCZYKDZLK-XTEPFMGCSA-NSynonyms
459147-94-5(8S8aR)6amino2benzyl8(4methoxynaphthalen1yl)1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino2benzyl8(4methoxynaphthalen1yl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
459147945
COC1=CC=C(C2=CC=CC=C21)C3C4CN(CC=C4C(=C(C3(C#N)C#N)N)C#N)CC5=CC=CC=C5
InChI=1SC30H25N5Oc13627121124(219561023(21)27)28261735(16207324820)141322(26)25(1531)29(34)30(281832)1933h2132628H14161734H21H3t2628+m0s1
MFCD18241784
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)Cc1ccccc1)c1ccc(c2c1cccc2)OC)(C#N)C#N
ZINC000019851987
ZINC19851987
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