Vitas-M small molecule compound
3-[6-amino-5,7,7-tricyano-2-(propan-2-yl)-1,2,3,7,8,8a-hexahydroisoquinolinium-8-yl]phenolate
Catalog ID
STL149958
SMILES N#CC1=C(N)C(C(C2C1=CC[NH+](C2)C(C)C)c1cccc(c1)[O-])(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 C21H21N5O MW 359.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O/c1-13(2)26-7-6-16-17(9-22)20(25)21(11-23,12-24)19(18(16)10-26)14-4-3-5-15(27)8-14/h3-6,8,13,18-19,27H,7,10,25H2,1-2H3InChIKey
PBMOQROQJMANGG-UHFFFAOYSA-NSynonyms
3(6amino577tricyano2(propan2yl)123788ahexahydroisoquinolinium8yl)phenolate
6amino8(3hydroxyphenyl)2propan2yl1388atetrahydroisoquinoline577tricarbonitrile
CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)O
InChI=1SC21H21N5Oc113(2)26761617(922)20(25)21(11231224)19(18(16)1026)1443515(27)814h36813181927H71025H212H3
MFCD05240251
N#CC1=C(N)C(C(C2C1=CC(NH+)(C2)C(C)C)c1cccc(c1)(O))(C#N)C#N
ZINC000004452843
ZINC000013471527
Check stock
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