Vitas-M small molecule compound
benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(pyridin-4-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK002250
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccncc1)(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 C25H20N6O2 MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N6O2/c26-12-20-19-8-11-31(24(32)33-14-17-4-2-1-3-5-17)13-21(19)22(18-6-9-30-10-7-18)25(15-27,16-28)23(20)29/h1-10,21-22H,11,13-14,29H2/t21-,22+/m0/s1InChIKey
FRBMZJZAGOSBMK-FCHUYYIVSA-NSynonyms
304013-03-4(8S8aR)benzyl6amino577tricyano8(pyridin4yl)1788atetrahydroisoquinoline2(3H)carboxylate
304013034
benzyl(8S8aR)6amino577tricyano8(pyridin4yl)3788atetrahydroisoquinoline2(1H)carboxylate
benzyl(8S8aR)6amino577tricyano8pyridin4yl1388atetrahydroisoquinoline2carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=NC=C4
InChI=1SC25H20N6O2c2612201981131(24(32)3314174213517)1321(19)22(18693010718)25(15271628)23(20)29h1102122H11131429H2t2122+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccncc1)(C#N)C#N
STK002250
ZINC000000808923
ZINC00808923
ZINC808923
Check stock
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