Vitas-M small molecule compound

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

Catalog ID
STL511711
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])CCCc1c[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 C23H24N4O4 MW 420.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4/c28-22(7-3-4-16-11-24-19-6-2-1-5-18(16)19)25-12-15-10-17(14-25)20-8-9-21(27(30)31)23(29)26(20)13-15/h1-2,5-6,8-9,11,15,17,24H,3-4,7,10,12-14H2
InChIKey
YGJWDWMXPPFGRP-UHFFFAOYSA-N
Synonyms

(1R5S)3(4(1Hindol3yl)butanoyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
11(4(1~(H)indol3yl)butanoyl)5nitro711diazatricyclo(7310^(27))trideca24dien6one
135638054
3(4(1Hindol3yl)butanoyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC23H24N4O4c2822(73416112419621518(16)19)2512151017(1425)208921(27(30)31)23(29)26(20)1315h12568911151724H347101214H2
MFCD31751788
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O))CCCc1c(nH)c2c1cccc2
ZINC000604405272

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Available files

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