Vitas-M small molecule compound

4-[(4-amino-6-hydroxypyrimidin-5-yl)amino]-5-nitrobenzene-1,2-dicarbonitrile

Catalog ID
STK662104
SMILES N#Cc1cc([N+](=O)[O-])c(cc1C#N)Nc1c(N)ncnc1O

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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 C12H7N7O3 MW 297.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7N7O3/c13-3-6-1-8(9(19(21)22)2-7(6)4-14)18-10-11(15)16-5-17-12(10)20/h1-2,5,18H,(H3,15,16,17,20)
InChIKey
BEFVEUSSUSIBBH-UHFFFAOYSA-N
Synonyms
881460-44-2
4((4amino6hydroxypyrimidin5yl)amino)5nitrobenzene12dicarbonitrile
4((4AMINO6HYDROXYPYRIMIDIN5YL)AMINO)5NITROPHTHALONITRILE
4((6AMINO4OXO1HPYRIMIDIN5YL)AMINO)5NITROBENZENE12DICARBONITRILE
881460442
C1=C(C(=CC(=C1NC2=C(NC=NC2=O)N)(N+)(=O)(O))C#N)C#N
InChI=1SC12H7N7O3c133618(9(19(21)22)27(6)414)181011(15)1651712(10)20h12518H(H315161720)
MFCD06617831
N#Cc1cc((N+)(=O)(O))c(cc1C#N)Nc1c(N)ncnc1O
ZINC000012428249
ZINC12428249

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Available files

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