Vitas-M small molecule compound

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

Catalog ID
STL511706
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])CCCCCn1cccc1

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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 C21H26N4O4 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4/c26-20(6-2-1-3-9-22-10-4-5-11-22)23-13-16-12-17(15-23)18-7-8-19(25(28)29)21(27)24(18)14-16/h4-5,7-8,10-11,16-17H,1-3,6,9,12-15H2
InChIKey
DHMBLMIFYQVXIE-UHFFFAOYSA-N
Synonyms

(1R5S)3(6(1Hpyrrol1yl)hexanoyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
135638049
5nitro11(6pyrrol1ylhexanoyl)711diazatricyclo(7310^(27))trideca24dien6one
9nitro3(6(1Hpyrrol1yl)hexanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC21H26N4O4c2620(621392210451122)2313161217(1523)187819(25(28)29)21(27)24(18)1416h457810111617H13691215H2
MFCD31751783
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O))CCCCCn1cccc1
ZINC000604404541

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Available files

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