Vitas-M small molecule compound

3-(methylsulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL447714
SMILES O=c1cccc2n1CC1CC2CN(C1)S(=O)(=O)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 C12H16N2O3S MW 268.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O3S/c1-18(16,17)13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3
InChIKey
BVOBATZVZLUAFT-UHFFFAOYSA-N
Synonyms

3(methylsulfonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CS(=O)(=O)N1CC2CC(C1)C3=CC=CC(=O)N3C2
InChI=1SC12H16N2O3Sc118(1617)1369510(813)1132412(15)14(11)79h24910H58H21H3
MFCD01539407
ZINC000006678342

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Available files

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