Vitas-M small molecule compound

4-{4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one

Catalog ID
STK238651
SMILES OCCN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])c1nn(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 C21H23N5O4 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4/c1-23-21(28)17-5-3-2-4-16(17)20(22-23)15-6-7-18(19(14-15)26(29)30)25-10-8-24(9-11-25)12-13-27/h2-7,14,27H,8-13H2,1H3
InChIKey
KBXRGOKFLWJQSP-UHFFFAOYSA-N
Synonyms
672914-02-2
4(4(4(2hydroxyethyl)piperazin1yl)3nitrophenyl)2methylphthalazin1(2H)one
4(4(4(2HYDROXYETHYL)PIPERAZIN1YL)3NITROPHENYL)2METHYLPHTHALAZIN1ONE
672914022
CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCN(CC4)CCO)(N+)(=O)(O)
InChI=1SC21H23N5O4c12321(28)17532416(17)20(2223)156718(19(1415)26(29)30)2510824(91125)121327h271427H813H21H3
MFCD04010316
OCCN1CCN(CC1)c1ccc(cc1(N+)(=O)(O))c1nn(C)c(=O)c2c1cccc2
ZINC000019928835
ZINC19928835

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Available files

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