Vitas-M small molecule compound
6-amino-2-benzyl-8-(4-chloro-2-nitrophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STL325571
SMILES N#CC1=C(N)C(C(C2C1=CCN(C2)Cc1ccccc1)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 C25H19ClN6O2 MW 470.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN6O2/c26-17-6-7-19(22(10-17)32(33)34)23-21-13-31(12-16-4-2-1-3-5-16)9-8-18(21)20(11-27)24(30)25(23,14-28)15-29/h1-8,10,21,23H,9,12-13,30H2InChIKey
HOWWKSOPWIZZLT-UHFFFAOYSA-NSynonyms
(8S8aR)6amino2benzyl8(4chloro2nitrophenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
6amino2benzyl8(4chloro2nitrophenyl)1388atetrahydroisoquinoline577tricarbonitrile
6amino2benzyl8(4chloro2nitrophenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=C(C=C(C=C4)Cl)(N+)(=O)(O)
InChI=1SC25H19ClN6O2c26176719(22(1017)32(33)34)23211331(12164213516)9818(21)20(1127)24(30)25(231428)1529h18102123H9121330H2
MFCD03806118
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)Cc1ccccc1)c1ccc(cc1(N+)(=O)(O))Cl)(C#N)C#N
N#CC1=C(N)C(C(C2C1=CCN(C2)Cc1ccccc1)c1ccc(cc1(N+)(=O)(O))Cl)(C#N)C#N
ZINC000009045312
ZINC000033352015
Check stock
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Check stock on Vitas-MAvailable files
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