Vitas-M small molecule compound
3-[3-(1H-indol-3-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
STL511716
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])CCc1c[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 C22H22N4O4 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4/c27-21(8-5-15-10-23-18-4-2-1-3-17(15)18)24-11-14-9-16(13-24)19-6-7-20(26(29)30)22(28)25(19)12-14/h1-4,6-7,10,14,16,23H,5,8-9,11-13H2InChIKey
CAWBSDRNMRHCFA-UHFFFAOYSA-NSynonyms
(1R5S)3(3(1Hindol3yl)propanoyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
11(3(1~(H)indol3yl)propanoyl)5nitro711diazatricyclo(7310^(27))trideca24dien6one
135638059
3(3(1Hindol3yl)propanoyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC22H22N4O4c2721(8515102318421317(15)18)241114916(1324)196720(26(29)30)22(28)25(19)1214h146710141623H5891113H2
MFCD31751793
O=C(N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O))CCc1c(nH)c2c1cccc2
ZINC001547206015
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