Vitas-M small molecule compound
6-amino-8-(4-chloro-2-nitrophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STL326905
SMILES N#CC1=C(N)C(C(C2C1=CCN(C2)C)c1ccc(cc1[N+](=O)[O-])Cl)(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 C19H15ClN6O2 MW 394.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN6O2/c1-25-5-4-12-14(7-21)18(24)19(9-22,10-23)17(15(12)8-25)13-3-2-11(20)6-16(13)26(27)28/h2-4,6,15,17H,5,8,24H2,1H3InChIKey
JGZZABLJRHXUOW-UHFFFAOYSA-NSynonyms
(8S8aR)6amino8(4chloro2nitrophenyl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
6amino8(4chloro2nitrophenyl)2methyl1388atetrahydroisoquinoline577tricarbonitrile
6amino8(4chloro2nitrophenyl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC19H15ClN6O2c125541214(721)18(24)19(9221023)17(15(12)825)133211(20)616(13)26(27)28h2461517H5824H21H3
MFCD28030866
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C)c1ccc(cc1(N+)(=O)(O))Cl)(C#N)C#N
N#CC1=C(N)C(C(C2C1=CCN(C2)C)c1ccc(cc1(N+)(=O)(O))Cl)(C#N)C#N
ZINC000004786337
ZINC000035937994
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