Vitas-M small molecule compound
4-ethyl-2-(4-nitrophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
Catalog ID
STL447391
SMILES N#Cc1nn(c2ccc(cc2)[N+](=O)[O-])c(=O)n(c1=O)CC
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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 C12H9N5O4 MW 287.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N5O4/c1-2-15-11(18)10(7-13)14-16(12(15)19)8-3-5-9(6-4-8)17(20)21/h3-6H,2H2,1H3InChIKey
GUXIOSVYDMZQFD-UHFFFAOYSA-NSynonyms
4ETHYL2(4NITROPHENYL)35DIOXO124TRIAZINE6CARBONITRILE
4ethyl2(4nitrophenyl)35dioxo2345tetrahydro124triazine6carbonitrile
CCN1C(=O)C(=NN(C1=O)C2=CC=C(C=C2)(N+)(=O)(O))C#N
InChI=1SC12H9N5O4c121511(18)10(713)1416(12(15)19)8359(648)17(20)21h36H2H21H3
MFCD06244317
N#Cc1nn(c2ccc(cc2)(N+)(=O)(O))c(=O)n(c1=O)CC
ZINC000001408851
ZINC1408851
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