Vitas-M small molecule compound

(1S,5S)-3-[3-(1H-indol-1-yl)propanoyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL549558
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])CCn1ccc2c1cccc2

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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 C22H22N4O4 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4/c27-21(8-10-23-9-7-16-3-1-2-4-18(16)23)24-12-15-11-17(14-24)19-5-6-20(26(29)30)22(28)25(19)13-15/h1-7,9,15,17H,8,10-14H2/t15-,17+/m0/s1
InChIKey
SUEASGXTWMXEDA-DOTOQJQBSA-N
Synonyms

(1R5S)3(3(1Hindol1yl)propanoyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3(3(1Hindol1yl)propanoyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC22H22N4O4c2721(810239716312418(16)23)2412151117(1424)195620(26(29)30)22(28)25(19)1315h1791517H81014H2t1517+m0s1
O=C(N1C(C@@H)2CC(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O))CCn1ccc2c1cccc2
ZINC001772492847

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Available files

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