Vitas-M small molecule compound
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2(1H)-one
Catalog ID
STK583557
SMILES [O-][N+](=O)c1c(N2CCN(CC2)Cc2ccc3c(c2)OCO3)c2ccccc2n(c1=O)C
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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 C22H22N4O5 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5/c1-23-17-5-3-2-4-16(17)20(21(22(23)27)26(28)29)25-10-8-24(9-11-25)13-15-6-7-18-19(12-15)31-14-30-18/h2-7,12H,8-11,13-14H2,1H3InChIKey
SUTORUKTZRYGRM-UHFFFAOYSA-NSynonyms
877809-18-2(O)(N+)(=O)c1c(N2CCN(CC2)Cc2ccc3c(c2)OCO3)c2ccccc2n(c1=O)C
4(4(13benzodioxol5ylmethyl)piperazin1yl)1methyl3nitroquinolin2(1H)one
4(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)1METHYL3NITROQUINOLIN2ONE
4(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)1methyl3nitroquinolin2(1H)one
4(4BENZO(13)DIOXOL5YLMETHYLPIPERAZIN1YL)1METHYL3NITRO1HQUINOLIN2ONE
877809182
CN1C2=CC=CC=C2C(=C(C1=O)(N+)(=O)(O))N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC22H22N4O5c12317532416(17)20(21(22(23)27)26(28)29)2510824(91125)1315671819(1215)31143018h2712H8111314H21H3
MFCD05706038
ZINC000020503029
ZINC20503029
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