Vitas-M small molecule compound

5-cyano-4-(4-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-2-thiolate

Catalog ID
STK870262
SMILES N#Cc1c(=O)[nH]c(nc1c1ccc(cc1)[N+](=O)[O-])[S-]

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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 C11H5N4O3S MW 273.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H6N4O3S/c12-5-8-9(13-11(19)14-10(8)16)6-1-3-7(4-2-6)15(17)18/h1-4H,(H2,13,14,16,19)/p-1
InChIKey
AGXNLNMPHFXGSH-UHFFFAOYSA-M
Synonyms

5cyano4(4nitrophenyl)6oxo16dihydropyrimidine2thiolate
5CYANO6(4NITROPHENYL)2SULFANYLIDENE1HPYRIMIDIN4OLATE
5CYANO6(4NITROPHENYL)2THIOXO12DIHYDROPYRIMIDIN4OLATE
C1=CC(=CC=C1C2=C(C(=NC(=S)N2)(O))C#N)(N+)(=O)(O)
InChI=1SC11H6N4O3Sc12589(1311(19)1410(8)16)6137(426)15(17)18h14H(H213141619)p1
N#Cc1c(=O)(nH)c(nc1c1ccc(cc1)(N+)(=O)(O))(S)
ZINC000017007255

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.