Vitas-M small molecule compound
4-hydroxy-5-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)benzene-1,2-dicarbonitrile
Catalog ID
STL434797
SMILES N#Cc1cc(c(cc1C#N)O)c1c(C)[nH][nH]c1=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 C12H8N4O2 MW 240.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8N4O2/c1-6-11(12(18)16-15-6)9-2-7(4-13)8(5-14)3-10(9)17/h2-3,17H,1H3,(H2,15,16,18)InChIKey
GERVTQRCRYPTEO-UHFFFAOYSA-NSynonyms
4hydroxy5(3methyl5oxo12dihydropyrazol4yl)benzene12dicarbonitrile
4hydroxy5(5methyl3oxo23dihydro1Hpyrazol4yl)benzene12dicarbonitrile
CC1=C(C(=O)NN1)C2=C(C=C(C(=C2)C#N)C#N)O
InChI=1SC12H8N4O2c1611(12(18)16156)927(413)8(514)310(9)17h2317H1H3(H2151618)
MFCD30711425
N#Cc1cc(c(cc1C#N)O)c1c(C)(nH)(nH)c1=O
ZINC000096336845
ZINC96336845
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