Vitas-M small molecule compound
(2R,6S)-4-amino-2-methyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carbonitrile
Catalog ID
STK366722
SMILES N#CC1=C(N)N[C@]2(C[C@H]1c1ccccc1O2)C
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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 C13H13N3O MW 227.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O/c1-13-6-9(10(7-14)12(15)16-13)8-4-2-3-5-11(8)17-13/h2-5,9,16H,6,15H2,1H3/t9-,13-/m1/s1InChIKey
MFJLVQPMXNDGLJ-NOZJJQNGSA-NSynonyms
(2R6S)4amino2methyl36dihydro2H26methano13benzoxazocine5carbonitrile
CC12CC(C3=CC=CC=C3O1)C(=C(N2)N)C#N
InChI=1SC13H13N3Oc11369(10(714)12(15)1613)8423511(8)1713h25916H615H21H3t913+m0s1
MFCD13368837
N#CC1=C(N)N(C@)2(C(C@H)1c1ccccc1O2)C
ZINC000000244949
ZINC100515927
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