Vitas-M small molecule compound
2-{5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}-4-phenylphthalazin-1(2H)-one
Catalog ID
STK148612
SMILES OCCN1CCN(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 C26H25N5O4 MW 471.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4/c32-17-16-28-12-14-29(15-13-28)20-10-11-23(31(34)35)24(18-20)30-26(33)22-9-5-4-8-21(22)25(27-30)19-6-2-1-3-7-19/h1-11,18,32H,12-17H2InChIKey
BKLSGEILQFCTBA-UHFFFAOYSA-NSynonyms
2(5(4(2HYDROXYETHYL)PIPERAZIN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1(2H)ONE
2(5(4(2HYDROXYETHYL)PIPERAZIN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1ONE
C1CN(CCN1CCO)C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5
InChI=1SC26H25N5O4c32171628121429(151328)20101123(31(34)35)24(1820)3026(33)22954821(22)25(2730)196213719h1111832H1217H2
MFCD02039788
OCCN1CCN(CC1)c1ccc(c(c1)n1nc(c2ccccc2)c2c(c1=O)cccc2)(N+)(=O)(O)
ZINC000019792389
ZINC19792389
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