Vitas-M small molecule compound

2-methyl-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}phthalazin-1(2H)-one

Catalog ID
STK241538
SMILES O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])Cc1nn(C)c(=O)c2c1cccc2

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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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-23-21(28)18-5-3-2-4-17(18)19(22-23)14-20(27)25-12-10-24(11-13-25)15-6-8-16(9-7-15)26(29)30/h2-9H,10-14H2,1H3
InChIKey
HYBIXJUQHPPHJD-UHFFFAOYSA-N
Synonyms

2methyl4(2(4(4nitrophenyl)piperazin1yl)2oxoethyl)phthalazin1(2H)one
2METHYL4(2(4(4NITROPHENYL)PIPERAZIN1YL)2OXOETHYL)PHTHALAZIN1ONE
CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H21N5O4c12321(28)18532417(18)19(2223)1420(27)25121024(111325)156816(9715)26(29)30h29H1014H21H3
MFCD04211854
O=C(N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))Cc1nn(C)c(=O)c2c1cccc2
ZINC000004983151
ZINC04983151
ZINC4983151

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Available files

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