Vitas-M small molecule compound

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

Catalog ID
STL511728
SMILES O=C(C1COc2c(O1)cccc2)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 C20H19N3O6 MW 397.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6/c24-19-15(23(26)27)6-5-14-13-7-12(9-22(14)19)8-21(10-13)20(25)18-11-28-16-3-1-2-4-17(16)29-18/h1-6,12-13,18H,7-11H2
InChIKey
JXGAHMPERDHMLL-UHFFFAOYSA-N
Synonyms

(1R5S)3(23dihydrobenzo(b)(14)dioxine2carbonyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
11(23dihydro14benzodioxine3carbonyl)5nitro711diazatricyclo(7310^(27))trideca24dien6one
135638068
3(23dihydro14benzodioxin2ylcarbonyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC20H19N3O6c241915(23(26)27)651413712(922(14)19)821(1013)20(25)18112816312417(16)2918h16121318H711H2
MFCD31751804
O=C(C1COc2c(O1)cccc2)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O)
ZINC001547211710
ZINC001547211711

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Available files

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