Vitas-M small molecule compound

3-[(4-methoxyphenyl)carbonyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL511715
SMILES COc1ccc(cc1)C(=O)N1CC2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

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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 C19H19N3O5 MW 369.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5/c1-27-15-4-2-13(3-5-15)18(23)20-9-12-8-14(11-20)16-6-7-17(22(25)26)19(24)21(16)10-12/h2-7,12,14H,8-11H2,1H3
InChIKey
RQDROHSPKXTCNU-UHFFFAOYSA-N
Synonyms

(1R5S)3(4methoxybenzoyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
11(4methoxybenzoyl)5nitro711diazatricyclo(7310^(27))trideca24dien6one
135638058
3((4methoxyphenyl)carbonyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccc(cc1)C(=O)N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O)
InChI=1SC19H19N3O5c127154213(3515)18(23)20912814(1120)166717(22(25)26)19(24)21(16)1012h271214H811H21H3
MFCD31751792
ZINC001547205839

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Available files

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