Vitas-M small molecule compound
(4Z)-5-methyl-2-(4-nitrophenyl)-4-[1-(pentylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK741973
SMILES CCCCCN/C(=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/C
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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 C17H22N4O3 MW 330.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O3/c1-4-5-6-11-18-12(2)16-13(3)19-20(17(16)22)14-7-9-15(10-8-14)21(23)24/h7-10,18H,4-6,11H2,1-3H3/b16-12-InChIKey
OHKUOXNMAPQHTG-VBKFSLOCSA-NSynonyms
(4Z)5methyl2(4nitrophenyl)4(1(pentylamino)ethylidene)24dihydro3Hpyrazol3one
(4Z)5METHYL2(4NITROPHENYL)4(1(PENTYLAMINO)ETHYLIDENE)PYRAZOL3ONE
(E)3methyl1(4nitrophenyl)4(1(pentylamino)ethylidene)1Hpyrazol5(4H)one
CCCCCNC(=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C)C
CCCCCNC(=C1C(=NN(C1=O)C2=CC=C(C=C2)(N+)(=O)(O))C)C
InChI=1SC17H22N4O3c1456111812(2)1613(3)1920(17(16)22)147915(10814)21(23)24h71018H4611H213H3b1612
MFCD07596567
ZINC000005385473
ZINC5385473
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