Vitas-M small molecule compound
(4Z)-4-(aminomethylidene)-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK143033
SMILES CCCC1=NN(C(=O)/C/1=C\N)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 C13H14N4O3 MW 274.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O3/c1-2-3-12-11(8-14)13(18)16(15-12)9-4-6-10(7-5-9)17(19)20/h4-8H,2-3,14H2,1H3/b11-8-InChIKey
LMEDZLHAECLMFO-FLIBITNWSA-NSynonyms
(4Z)4(AMINOMETHYLIDENE)2(4NITROPHENYL)5PROPYL24DIHYDRO3HPYRAZOL3ONE
(4Z)4(AMINOMETHYLIDENE)2(4NITROPHENYL)5PROPYLPYRAZOL3ONE
CCCC1=NN(C(=O)C1=CN)c1ccc(cc1)(N+)(=O)(O)
CCCC1=NN(C(=O)C1=CN)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC13H14N4O3c1231211(814)13(18)16(1512)94610(759)17(19)20h48H2314H21H3b118
MFCD02614410
ZINC000004955857
ZINC04955857
ZINC4955857
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