Vitas-M small molecule compound
4-methyl-2-{2-nitro-5-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}phthalazin-1(2H)-one
Catalog ID
STK172403
SMILES O=C(c1ccccc1)N1CCN(CC1)c1ccc(c(c1)n1nc(C)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 C26H23N5O4 MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O4/c1-18-21-9-5-6-10-22(21)26(33)30(27-18)24-17-20(11-12-23(24)31(34)35)28-13-15-29(16-14-28)25(32)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3InChIKey
MSKIREZLQLEYJS-UHFFFAOYSA-NSynonyms
2(5(4BENZOYLPIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
4METHYL2(2NITRO5(4(PHENYLCARBONYL)PIPERAZIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5)(N+)(=O)(O)
InChI=1SC26H23N5O4c118219561022(21)26(33)30(2718)241720(111223(24)31(34)35)28131529(161428)25(32)197324819h21217H1316H21H3
MFCD04219601
O=C(c1ccccc1)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O)
ZINC000009891985
ZINC09891985
ZINC9891985
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