Vitas-M small molecule compound
4-(4-methylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]phthalazin-1(2H)-one
Catalog ID
STK157994
SMILES Cc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCNCC1
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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 C25H23N5O3 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3/c1-17-6-8-18(9-7-17)24-20-4-2-3-5-21(20)25(31)29(27-24)23-16-19(10-11-22(23)30(32)33)28-14-12-26-13-15-28/h2-11,16,26H,12-15H2,1H3InChIKey
WLVLTISZBVVAIG-UHFFFAOYSA-NSynonyms
591726-43-12(2nitro5(piperazin1yl)phenyl)4(ptolyl)phthalazin1(2H)one
4(4METHYLPHENYL)2(2NITRO5(1PIPERAZINYL)PHENYL)1(2H)PHTHALAZINONE
4(4METHYLPHENYL)2(2NITRO5(PIPERAZIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
4(4METHYLPHENYL)2(2NITRO5PIPERAZIN1YLPHENYL)PHTHALAZIN1ONE
591726431
CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCNCC5)(N+)(=O)(O)
Cc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1(N+)(=O)(O))N1CCNCC1
InChI=1SC25H23N5O3c1176818(9717)2420423521(20)25(31)29(2724)231619(101122(23)30(32)33)28141226131528h2111626H1215H21H3
MFCD03691667
ZINC000008837850
ZINC8837850
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