Vitas-M small molecule compound
4-(4-methylphenyl)-2-{2-nitro-5-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}phthalazin-1(2H)-one
Catalog ID
STK171958
SMILES Cc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccccc1
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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 C32H27N5O4 MW 545.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O4/c1-22-11-13-23(14-12-22)30-26-9-5-6-10-27(26)32(39)36(33-30)29-21-25(15-16-28(29)37(40)41)34-17-19-35(20-18-34)31(38)24-7-3-2-4-8-24/h2-16,21H,17-20H2,1H3InChIKey
VIXGULSCXVJYNN-UHFFFAOYSA-NSynonyms
2(5(4BENZOYLPIPERAZIN1YL)2NITROPHENYL)4(4METHYLPHENYL)PHTHALAZIN1ONE
4(4METHYLPHENYL)2(2NITRO5(4(PHENYLCARBONYL)PIPERAZIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=CC=C6)(N+)(=O)(O)
Cc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccccc1
InChI=1SC32H27N5O4c122111323(141222)30269561027(26)32(39)36(3330)292125(151628(29)37(40)41)34171935(201834)31(38)247324824h21621H1720H21H3
MFCD05992485
ZINC000029492457
ZINC29492457
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