Vitas-M small molecule compound

(8S,8aR)-6-amino-8-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STK062433
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1cc(OC)c2c(c1)OCO2)(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 C21H19N5O3 MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3/c1-26-4-3-13-14(7-22)20(25)21(9-23,10-24)18(15(13)8-26)12-5-16(27-2)19-17(6-12)28-11-29-19/h3,5-6,15,18H,4,8,11,25H2,1-2H3/t15-,18+/m0/s1
InChIKey
MERFWIICGLAQAY-MAUKXSAKSA-N
Synonyms
303953-33-5
(8S8aR)6amino8(7methoxy13benzodioxol5yl)2methyl1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino8(7methoxy13benzodioxol5yl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8S8aR)6amino8(7methoxybenzo(d)(13)dioxol5yl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
303953335
CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC4=C(C(=C3)OC)OCO4
InChI=1SC21H19N5O3c126431314(722)20(25)21(9231024)18(15(13)826)12516(272)1917(612)28112919h3561518H481125H212H3t1518+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C)c1cc(OC)c2c(c1)OCO2)(C#N)C#N
STK062433
ZINC000004102578
ZINC04102578
ZINC4102578

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Available files

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