Vitas-M small molecule compound
(4E)-4-[(cyclohexylamino)methylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK868331
SMILES CC1=NN(C(=O)/C/1=C/NC1CCCCC1)c1ccc(cc1)[N+](=O)[O-]
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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 C17H20N4O3 MW 328.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O3/c1-12-16(11-18-13-5-3-2-4-6-13)17(22)20(19-12)14-7-9-15(10-8-14)21(23)24/h7-11,13,18H,2-6H2,1H3/b16-11+InChIKey
XHNBYMUJVXRIHK-LFIBNONCSA-NSynonyms
(4E)4((cyclohexylamino)methylidene)5methyl2(4nitrophenyl)24dihydro3Hpyrazol3one
(4E)4((CYCLOHEXYLAMINO)METHYLIDENE)5METHYL2(4NITROPHENYL)PYRAZOL3ONE
(E)4((cyclohexylamino)methylene)3methyl1(4nitrophenyl)1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNC1CCCCC1)c1ccc(cc1)(N+)(=O)(O)
CC1=NN(C(=O)C1=CNC2CCCCC2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H20N4O3c11216(1118135324613)17(22)20(1912)147915(10814)21(23)24h7111318H26H21H3b1611+
MFCD01827266
ZINC000100149065
ZINC100149065
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