Vitas-M small molecule compound
3-iodo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
Catalog ID
STL435451
SMILES N#CC1=C(I)NC2(C(C1(C#N)C(=O)N2)(C)C)C(C)C
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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 C13H15IN4O MW 370.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15IN4O/c1-7(2)13-11(3,4)12(6-16,10(19)18-13)8(5-15)9(14)17-13/h7,17H,1-4H3,(H,18,19)InChIKey
DFCFPXHEGWFHHM-UHFFFAOYSA-NSynonyms
3iodo88dimethyl6oxo1(propan2yl)27diazabicyclo(321)oct3ene45dicarbonitrile
3iodo88dimethyl7oxo5propan2yl46diazabicyclo(321)oct2ene12dicarbonitrile
CC(C)C12C(C(C(=C(N1)I)C#N)(C(=O)N2)C#N)(C)C
InChI=1SC13H15IN4Oc17(2)1311(34)12(61610(19)1813)8(515)9(14)1713h717H14H3(H1819)
MFCD25975347
ZINC000066088015
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