Vitas-M small molecule compound
3-chloro-8,8-diethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
Catalog ID
STK688822
SMILES N#CC1=C(Cl)NC2C(C1(C#N)C(=O)N2)(CC)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 C12H13ClN4O MW 264.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClN4O/c1-3-11(4-2)9-16-8(13)7(5-14)12(11,6-15)10(18)17-9/h9,16H,3-4H2,1-2H3,(H,17,18)InChIKey
XATNHFQCPDWZDC-UHFFFAOYSA-NSynonyms
27DIAZABICYCLO(321)OCT3ENE45DICARBONITRILE3CHLORO88DIETHYL6OXO
3CHLORO88DIETHYL6OXO27DIAZABICYCLO(321)OCT3ENE45DICARBONITRILE
CCC1(C2NC(=C(C1(C(=O)N2)C#N)C#N)Cl)CC
InChI=1SC12H13ClN4Oc1311(42)9168(13)7(514)12(11615)10(18)179h916H34H212H3(H1718)
MFCD07658733
ZINC000100218612
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