Vitas-M small molecule compound
(4E)-4-[(cyclopentylamino)methylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL169478
SMILES CC1=NN(C(=O)/C/1=C/NC1CCCC1)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 C16H18N4O3 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3/c1-11-15(10-17-12-4-2-3-5-12)16(21)19(18-11)13-6-8-14(9-7-13)20(22)23/h6-10,12,17H,2-5H2,1H3/b15-10+InChIKey
MLZSNRAYZGMKKT-XNTDXEJSSA-NSynonyms
351165-50-9(4E)4((cyclopentylamino)methylidene)5methyl2(4nitrophenyl)24dihydro3Hpyrazol3one
(4E)4((CYCLOPENTYLAMINO)METHYLIDENE)5METHYL2(4NITROPHENYL)PYRAZOL3ONE
351165509
CC1=NN(C(=O)C1=CNC1CCCC1)c1ccc(cc1)(N+)(=O)(O)
CC1=NN(C(=O)C1=CNC2CCCC2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H18N4O3c11115(101712423512)16(21)19(1811)136814(9713)20(22)23h6101217H25H21H3b1510+
MFCD01243750
ZINC000100149060
ZINC100149060
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