Vitas-M small molecule compound

(1R,5S)-3-(benzo[cd]indol-2-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL526030
SMILES O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)C1=Nc2c3c1cccc3ccc2

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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 C22H19N3O MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O/c26-20-9-3-8-19-16-10-14(12-25(19)20)11-24(13-16)22-17-6-1-4-15-5-2-7-18(23-22)21(15)17/h1-9,14,16H,10-13H2/t14-,16+/m0/s1
InChIKey
GMCFBMGGUXGXSP-GOEBONIOSA-N
Synonyms

(1R5S)3(benzo(cd)indol2yl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3(benzo(cd)indol2yl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
InChI=1SC22H19N3Oc262093819161014(1225(19)20)1124(1316)22176141552718(2322)21(15)17h191416H1013H2t1416+m0s1
O=c1cccc2n1C(C@@H)1CN(C(C@H)2C1)C1=Nc2c3c1cccc3ccc2
ZINC000104161427

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Available files

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