Vitas-M small molecule compound

1-methyl-3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]quinolin-2(1H)-one

Catalog ID
STL235408
SMILES O=C(c1ccccc1)N1CCN(CC1)c1c2ccccc2n(c(=O)c1[N+](=O)[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 C21H20N4O4 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4/c1-22-17-10-6-5-9-16(17)18(19(21(22)27)25(28)29)23-11-13-24(14-12-23)20(26)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKey
CNJZIKFTUCLULB-UHFFFAOYSA-N
Synonyms

1methyl3nitro4(4(phenylcarbonyl)piperazin1yl)quinolin2(1H)one
4(4benzoylpiperazin1yl)1methyl3nitroquinolin2(1H)one
4(4BENZOYLPIPERAZIN1YL)1METHYL3NITROQUINOLIN2ONE
CN1C2=CC=CC=C2C(=C(C1=O)(N+)(=O)(O))N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI=1SC21H20N4O4c122171065916(17)18(19(21(22)27)25(28)29)23111324(141223)20(26)157324815h210H1114H21H3
MFCD01798641
O=C(c1ccccc1)N1CCN(CC1)c1c2ccccc2n(c(=O)c1(N+)(=O)(O))C
ZINC000004825767
ZINC04825767
ZINC4825767

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Available files

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