Vitas-M small molecule compound
2-ethyl-1,3-dioxo-1,2,3,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile
Catalog ID
STL135451
SMILES N#Cc1c2CCCCCn2c(=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 C12H15N3O2 MW 233.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O2/c1-2-14-11(16)9(8-13)10-6-4-3-5-7-15(10)12(14)17/h2-7H2,1H3InChIKey
WMAUKZXHVBPYFE-UHFFFAOYSA-NSynonyms
2ethyl13dioxo12356789octahydropyrimido(16a)azepine4carbonitrile
2ethyl13dioxo6789tetrahydro5Hpyrimido(16a)azepine4carbonitrile
CCN1C(=O)C(=C2CCCCCN2C1=O)C#N
InChI=1SC12H15N3O2c121411(16)9(813)106435715(10)12(14)17h27H21H3
MFCD20754285
ZINC000067349676
ZINC67349676
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