Vitas-M small molecule compound

4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-ethyl-3-nitroquinolin-2(1H)-one

Catalog ID
STK851826
SMILES CCn1c(=O)c([N+](=O)[O-])c(c2c1cccc2)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C23H24N4O5 MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O5/c1-2-26-18-6-4-3-5-17(18)21(22(23(26)28)27(29)30)25-11-9-24(10-12-25)14-16-7-8-19-20(13-16)32-15-31-19/h3-8,13H,2,9-12,14-15H2,1H3
InChIKey
YQLRJLMEQWCWCJ-UHFFFAOYSA-N
Synonyms
874463-44-2
4(4(13benzodioxol5ylmethyl)piperazin1yl)1ethyl3nitroquinolin2(1H)one
4(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)1ETHYL3NITROQUINOLIN2ONE
4(4(2HBENZO(34D)13DIOXOLAN5YLMETHYL)PIPERAZINYL)1ETHYL3NITROHYDROQUINOLIN2ONE
4(4(BENZO(D)(13)DIOXOL5YLMETHYL)PIPERAZIN1YL)1ETHYL3NITROQUINOLIN2(1H)ONE
4(4BENZO(13)DIOXOL5YLMETHYLPIPERAZIN1YL)1ETHYL3NITRO1HQUINOLIN2ONE
874463442
CCn1c(=O)c((N+)(=O)(O))c(c2c1cccc2)N1CCN(CC1)Cc1ccc2c(c1)OCO2
CCN1C2=CC=CC=C2C(=C(C1=O)(N+)(=O)(O))N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC23H24N4O5c122618643517(18)21(22(23(26)28)27(29)30)2511924(101225)1416781920(1316)32153119h3813H29121415H21H3
MFCD05700244
ZINC000020308287
ZINC20308287

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Available files

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