Vitas-M small molecule compound
N-[(3E)-1-butyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-nitrobenzamide
Catalog ID
STK568819
SMILES CCCCn1[nH]/c(=N/C(=O)c2ccc(cc2)[N+](=O)[O-])/c2c1nc1c(C)cccc1c2
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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 C22H21N5O3 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3/c1-3-4-12-26-21-18(13-16-7-5-6-14(2)19(16)23-21)20(25-26)24-22(28)15-8-10-17(11-9-15)27(29)30/h5-11,13H,3-4,12H2,1-2H3,(H,24,25,28)InChIKey
RIGXFDIOJQDJNN-UHFFFAOYSA-NSynonyms
713092-47-8713092478
CCCCn1(nH)c(=NC(=O)c2ccc(cc2)(N+)(=O)(O))c2c1nc1c(C)cccc1c2
CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H21N5O3c13412262118(131675614(2)19(16)2321)20(2526)2422(28)1581017(11915)27(29)30h51113H3412H212H3(H242528)
MFCD05725464
N((3E)1butyl8methyl12dihydro3Hpyrazolo(34b)quinolin3ylidene)4nitrobenzamide
N(1BUTYL8METHYLPYRAZOLO(34B)QUINOLIN3YL)4NITROBENZAMIDE
ZINC000017206430
ZINC17206430
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