Vitas-M small molecule compound
methyl 3-benzyl-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Catalog ID
STL192849
SMILES COC(=O)c1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)Cc1ccccc1
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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 C20H20N2O4 MW 352.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4/c1-20-11-16(15-10-14(18(23)25-2)8-9-17(15)26-20)21-19(24)22(20)12-13-6-4-3-5-7-13/h3-10,16H,11-12H2,1-2H3,(H,21,24)InChIKey
PGAUHXHMZAYOFE-UHFFFAOYSA-NSynonyms
899986-84-6899986846
CC12CC(C3=C(O1)C=CC(=C3)C(=O)OC)NC(=O)N2CC4=CC=CC=C4
InChI=1SC20H20N2O4c1201116(151014(18(23)252)8917(15)2620)2119(24)22(20)12136435713h31016H1112H212H3(H2124)
methyl3benzyl2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD07650997
ZINC000004852905
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