Vitas-M small molecule compound
4-[(E)-{[2-(4-acetylpiperazin-1-yl)ethyl]imino}methyl]-2-(4-nitrophenyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK957641
SMILES CCCc1[nH]n(c(=O)c1/C=N/CCN1CCN(CC1)C(=O)C)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 C21H28N6O4 MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O4/c1-3-4-20-19(15-22-9-10-24-11-13-25(14-12-24)16(2)28)21(29)26(23-20)17-5-7-18(8-6-17)27(30)31/h5-8,15,23H,3-4,9-14H2,1-2H3/b22-15+InChIKey
IXPPUWSRRNABJW-PXLXIMEGSA-NSynonyms
514217-67-54((E)((2(4acetylpiperazin1yl)ethyl)imino)methyl)2(4nitrophenyl)5propyl12dihydro3Hpyrazol3one
514217675
CCCc1(nH)n(c(=O)c1C=NCCN1CCN(CC1)C(=O)C)c1ccc(cc1)(N+)(=O)(O)
MFCD01919295
ZINC000100163195
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