Vitas-M small molecule compound
benzyl 6-amino-5,7,7-tricyano-8-(pyridin-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STL151214
SMILES N#CC1=C(N)C(C(C2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccnc1)(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/c26-11-20-19-8-10-31(24(32)33-14-17-5-2-1-3-6-17)13-21(19)22(18-7-4-9-30-12-18)25(15-27,16-28)23(20)29/h1-9,12,21-22H,10,13-14,29H2InChIKey
OVLOCCUXDZDXIE-UHFFFAOYSA-NSynonyms
(8S8aR)benzyl6amino577tricyano8(pyridin3yl)1788atetrahydroisoquinoline2(3H)carboxylate
benzyl6amino577tricyano8(pyridin3yl)3788atetrahydroisoquinoline2(1H)carboxylate
benzyl6amino577tricyano8pyridin3yl1388atetrahydroisoquinoline2carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CN=CC=C4
InChI=1SC25H20N6O2c2611201981031(24(32)3314175213617)1321(19)22(18749301218)25(15271628)23(20)29h19122122H10131429H2
MFCD05240252
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccnc1)(C#N)C#N
ZINC000004398303
ZINC000006446299
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