Vitas-M small molecule compound

methyl 2-methyl-3-(4-methylphenyl)-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate

Catalog ID
STL192861
SMILES COC(=O)c1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)c1ccc(cc1)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 C20H20N2O4 MW 352.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4/c1-12-4-7-14(8-5-12)22-19(24)21-16-11-20(22,2)26-17-9-6-13(10-15(16)17)18(23)25-3/h4-10,16H,11H2,1-3H3,(H,21,24)
InChIKey
UZCUMINIHMVENP-UHFFFAOYSA-N
Synonyms
899962-60-8
899962608
CC1=CC=C(C=C1)N2C(=O)NC3CC2(OC4=C3C=C(C=C4)C(=O)OC)C
InChI=1SC20H20N2O4c1124714(8512)2219(24)21161120(222)26179613(1015(16)17)18(23)253h41016H11H213H3(H2124)
methyl2methyl3(4methylphenyl)4oxo3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD07650968
ZINC000004852847

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.