Vitas-M small molecule compound
(2-methoxy-5-nitrophenyl)[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
Catalog ID
STK878069
SMILES COc1ccc(cc1C(=O)N1CCN(CC1)c1nnc(c2c1cccc2)c1ccccc1)[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 C26H23N5O4 MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O4/c1-35-23-12-11-19(31(33)34)17-22(23)26(32)30-15-13-29(14-16-30)25-21-10-6-5-9-20(21)24(27-28-25)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3InChIKey
WBKIUEDDGRGACG-UHFFFAOYSA-NSynonyms
674354-47-3(2methoxy5nitrophenyl)(4(4phenylphthalazin1yl)piperazin1yl)methanone
674354473
COC1=C(C=C(C=C1)(N+)(=O)(O))C(=O)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5
COc1ccc(cc1C(=O)N1CCN(CC1)c1nnc(c2c1cccc2)c1ccccc1)(N+)(=O)(O)
InChI=1SC26H23N5O4c13523121119(31(33)34)1722(23)26(32)30151329(141630)25211065920(21)24(272825)187324818h21217H1316H21H3
MFCD04008335
ZINC000009463892
ZINC9463892
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