Vitas-M small molecule compound

(1R,8aS)-4-amino-1-(3-nitrophenyl)-6,7,8,8a-tetrahydronaphthalene-2,2,3(1H)-tricarbonitrile

Catalog ID
STK533082
SMILES N#CC1=C(N)C2=CCCC[C@H]2[C@@H](C1(C#N)C#N)c1cccc(c1)[N+](=O)[O-]

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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 C19H15N5O2 MW 345.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N5O2/c20-9-16-18(23)15-7-2-1-6-14(15)17(19(16,10-21)11-22)12-4-3-5-13(8-12)24(25)26/h3-5,7-8,14,17H,1-2,6,23H2/t14-,17+/m1/s1
InChIKey
FACHJCMCYXTZAF-PBHICJAKSA-N
Synonyms
956623-01-1
(1R8aS)4amino1(3nitrophenyl)6788atetrahydro1Hnaphthalene223tricarbonitrile
(1R8aS)4amino1(3nitrophenyl)6788atetrahydronaphthalene223(1H)tricarbonitrile
956623011
C1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC19H15N5O2c2091618(23)15721614(15)17(19(161021)1122)1243513(812)24(25)26h35781417H12623H2t1417+m1s1
N#CC1=C(N)C2=CCCC(C@H)2(C@@H)(C1(C#N)C#N)c1cccc(c1)(N+)(=O)(O)
ZINC000004729166
ZINC04729166
ZINC4729166

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Available files

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