Vitas-M small molecule compound

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

Catalog ID
STL475430
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)Cc1c[nH]c2c1cccc2

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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 C21H21N3O2 MW 347.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2/c25-20-7-3-6-19-16-8-14(12-24(19)20)11-23(13-16)21(26)9-15-10-22-18-5-2-1-4-17(15)18/h1-7,10,14,16,22H,8-9,11-13H2
InChIKey
VIUYELJOUYDDEF-UHFFFAOYSA-N
Synonyms

(1R5S)3(2(1Hindol3yl)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3(1Hindol3ylacetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)CC4=CNC5=CC=CC=C54
InChI=1SC21H21N3O2c25207361916814(1224(19)20)1123(1316)21(26)915102218521417(15)18h1710141622H891113H2
MFCD31751279
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1c(nH)c2c1cccc2
O=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)Cc1c(nH)c2c1cccc2
ZINC000096115868

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Available files

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