Vitas-M small molecule compound
methyl 3-(dicyanomethylidene)-1-methyl-5-oxo-8-phenyl-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
Catalog ID
STL434118
SMILES COC(=O)C1C(c2ccccc2)C2C(=O)NC1(C)NC2=C(C#N)C#N
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C18H16N4O3 MW 336.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3/c1-18-14(17(24)25-2)12(10-6-4-3-5-7-10)13(16(23)22-18)15(21-18)11(8-19)9-20/h3-7,12-14,21H,1-2H3,(H,22,23)InChIKey
XKGJGQSDBLFQSR-UHFFFAOYSA-NSynonyms
CC12C(C(C(C(=C(C#N)C#N)N1)C(=O)N2)C3=CC=CC=C3)C(=O)OC
InChI=1SC18H16N4O3c11814(17(24)252)12(106435710)13(16(23)2218)15(2118)11(819)920h37121421H12H3(H2223)
methyl3(dicyanomethylidene)1methyl5oxo8phenyl26diazabicyclo(222)octane7carboxylate
methyl6(dicyanomethylidene)4methyl2oxo7phenyl35diazabicyclo(222)octane8carboxylate
MFCD26098523
ZINC000253471688
ZINC000253471692
Check stock
See real-time availability and sample size for STL434118 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.