Vitas-M small molecule compound

2-{5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl}-4-phenylphthalazin-1(2H)-one

Catalog ID
STK157822
SMILES O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccccc2)c2c(c1=O)cccc2)[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 C29H29N5O4 MW 511.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O4/c1-29(2,3)28(36)32-17-15-31(16-18-32)21-13-14-24(34(37)38)25(19-21)33-27(35)23-12-8-7-11-22(23)26(30-33)20-9-5-4-6-10-20/h4-14,19H,15-18H2,1-3H3
InChIKey
NMLDOONMDDIQDB-UHFFFAOYSA-N
Synonyms
591736-96-8
2(2nitro5(4pivaloylpiperazin1yl)phenyl)4phenylphthalazin1(2H)one
2(5(4(22DIMETHYLPROPANOYL)PIPERAZIN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1(2H)ONE
2(5(4(22DIMETHYLPROPANOYL)PIPERAZIN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1ONE
2(5(4(22DIMETHYLPROPANOYL)PIPERAZINYL)2NITROPHENYL)4PHENYL2HYDROPHTHALAZIN1ONE
2(5(4(22DIMETHYLPROPIONYL)PIPERAZIN1YL)2NITROPHENYL)4PHENYL2HPHTHALAZIN1ONE
591736968
CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5
InChI=1SC29H29N5O4c129(23)28(36)32171531(161832)21131424(34(37)38)25(1921)3327(35)2312871122(23)26(3033)2095461020h41419H1518H213H3
MFCD03690797
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccccc2)c2c(c1=O)cccc2)(N+)(=O)(O)
ZINC000008691680
ZINC08691680
ZINC8691680

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Available files

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