Vitas-M small molecule compound
6-amino-2-benzyl-8-(4-nitrothiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STL324603
SMILES N#CC1=C(N)C(C(C2C1=CCN(C2)Cc1ccccc1)c1scc(c1)[N+](=O)[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 C23H18N6O2S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N6O2S/c24-9-18-17-6-7-28(10-15-4-2-1-3-5-15)11-19(17)21(23(13-25,14-26)22(18)27)20-8-16(12-32-20)29(30)31/h1-6,8,12,19,21H,7,10-11,27H2InChIKey
ZQLQRCNREWCEPL-UHFFFAOYSA-NSynonyms
303966-28-1303966281
6amino2benzyl8(4nitrothiophen2yl)1388atetrahydroisoquinoline577tricarbonitrile
6amino2benzyl8(4nitrothiophen2yl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC(=CS4)(N+)(=O)(O)
InChI=1SC23H18N6O2Sc24918176728(10154213515)1119(17)21(23(13251426)22(18)27)20816(123220)29(30)31h168121921H7101127H2
MFCD00848633
N#CC1=C(N)C(C(C2C1=CCN(C2)Cc1ccccc1)c1scc(c1)(N+)(=O)(O))(C#N)C#N
ZINC000008951197
ZINC000013756013
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