Vitas-M small molecule compound
4-(4-methylphenyl)-2-[2-nitro-5-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
Catalog ID
STK158078
SMILES Cc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCCCC1
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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 C26H24N4O3 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O3/c1-18-9-11-19(12-10-18)25-21-7-3-4-8-22(21)26(31)29(27-25)24-17-20(13-14-23(24)30(32)33)28-15-5-2-6-16-28/h3-4,7-14,17H,2,5-6,15-16H2,1H3InChIKey
CYJFDRFKHJTOKJ-UHFFFAOYSA-NSynonyms
591765-50-32(2nitro5(piperidin1yl)phenyl)4(ptolyl)phthalazin1(2H)one
4(4METHYLPHENYL)2(2NITRO5(PIPERIDIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
4(4METHYLPHENYL)2(2NITRO5PIPERIDIN1YLPHENYL)PHTHALAZIN1ONE
591765503
CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCCCC5)(N+)(=O)(O)
Cc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1(N+)(=O)(O))N1CCCCC1
InChI=1SC26H24N4O3c11891119(121018)2521734822(21)26(31)29(2725)241720(131423(24)30(32)33)28155261628h3471417H2561516H21H3
MFCD03695426
ZINC000009008899
ZINC09008899
ZINC9008899
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