Vitas-M small molecule compound

3-amino-2-benzyl-7-nitro-1-oxo-1,2-dihydroisoquinoline-4-carbonitrile

Catalog ID
STK535459
SMILES N#Cc1c(N)n(Cc2ccccc2)c(=O)c2c1ccc(c2)[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 C17H12N4O3 MW 320.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O3/c18-9-15-13-7-6-12(21(23)24)8-14(13)17(22)20(16(15)19)10-11-4-2-1-3-5-11/h1-8H,10,19H2
InChIKey
OUKQGSXPGFXTLO-UHFFFAOYSA-N
Synonyms
130651-66-0
130651660
3amino2benzyl7nitro1oxo12dihydroisoquinoline4carbonitrile
3AMINO2BENZYL7NITRO1OXOISOQUINOLINE4CARBONITRILE
C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=C(C=C3)(N+)(=O)(O))C#N)N
InChI=1SC17H12N4O3c18915137612(21(23)24)814(13)17(22)20(16(15)19)10114213511h18H1019H2
MFCD00158986
N#Cc1c(N)n(Cc2ccccc2)c(=O)c2c1ccc(c2)(N+)(=O)(O)
ZINC000000162496
ZINC00162496
ZINC162496

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Available files

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