Vitas-M small molecule compound
4-[(E)-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imino}methyl]-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK087773
SMILES OCC(/N=C/c1c(C)[nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])(CO)CO
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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 C15H18N4O6 MW 350.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N4O6/c1-10-13(6-16-15(7-20,8-21)9-22)14(23)18(17-10)11-2-4-12(5-3-11)19(24)25/h2-6,17,20-22H,7-9H2,1H3/b16-6+InChIKey
NTBULRDOHVUCEH-OMCISZLKSA-NSynonyms
4((E)((13dihydroxy2(hydroxymethyl)propan2yl)imino)methyl)5methyl2(4nitrophenyl)12dihydro3Hpyrazol3one
MFCD03161613
OCC(N=Cc1c(C)(nH)n(c1=O)c1ccc(cc1)(N+)(=O)(O))(CO)CO
STK087773
ZINC000002807438
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