Vitas-M small molecule compound
methyl 4-(6-amino-5,7,7-tricyano-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl)benzoate
Catalog ID
STL327090
SMILES COC(=O)c1ccc(cc1)C1C2CNCC=C2C(=C(C1(C#N)C#N)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 C20H17N5O2 MW 359.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O2/c1-27-19(26)13-4-2-12(3-5-13)17-16-9-25-7-6-14(16)15(8-21)18(24)20(17,10-22)11-23/h2-6,16-17,25H,7,9,24H2,1H3InChIKey
YNYGYZVUELWZGF-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2C3CNCC=C3C(=C(C2(C#N)C#N)N)C#N
COC(=O)c1ccc(cc1)(C@@H)1(C@H)2CNCC=C2C(=C(C1(C#N)C#N)N)C#N
InChI=1SC20H17N5O2c12719(26)134212(3513)17169257614(16)15(821)18(24)20(171022)1123h26161725H7924H21H3
methyl4((8S8aR)6amino577tricyano123788ahexahydroisoquinolin8yl)benzoate
methyl4(6amino577tricyano123788ahexahydroisoquinolin8yl)benzoate
methyl4(6amino577tricyano2388atetrahydro1Hisoquinolin8yl)benzoate
MFCD05240259
ZINC000020841456
ZINC000027130076
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