Vitas-M small molecule compound
N-[(3Z)-1-butyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-3-nitrobenzamide
Catalog ID
STL040629
SMILES CCCCn1[nH]/c(=N\C(=O)c2cccc(c2)[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/c1-3-4-11-26-21-18(13-15-8-5-7-14(2)19(15)23-21)20(25-26)24-22(28)16-9-6-10-17(12-16)27(29)30/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25,28)InChIKey
WWHBMRDRUSKCHB-UHFFFAOYSA-NSynonyms
714931-94-9714931949
CCCCn1(nH)c(=NC(=O)c2cccc(c2)(N+)(=O)(O))c2c1nc1c(C)cccc1c2
CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC22H21N5O3c13411262118(131585714(2)19(15)2321)20(2526)2422(28)16961017(1216)27(29)30h5101213H3411H212H3(H242528)
MFCD05735096
N((3Z)1butyl8methyl12dihydro3Hpyrazolo(34b)quinolin3ylidene)3nitrobenzamide
N(1BUTYL8METHYLPYRAZOLO(34B)QUINOLIN3YL)3NITROBENZAMIDE
ZINC000005501518
ZINC05501518
ZINC5501518
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