Vitas-M small molecule compound
2-[5-(azepan-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1(2H)-one
Catalog ID
STK172378
SMILES [O-][N+](=O)c1ccc(cc1n1nc(c2ccccc2)c2c(c1=O)cccc2)N1CCCCCC1
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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 C26H24N4O3 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O3/c31-26-22-13-7-6-12-21(22)25(19-10-4-3-5-11-19)27-29(26)24-18-20(14-15-23(24)30(32)33)28-16-8-1-2-9-17-28/h3-7,10-15,18H,1-2,8-9,16-17H2InChIKey
TYUJDINLOHLHQB-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1n1nc(c2ccccc2)c2c(c1=O)cccc2)N1CCCCCC1
2(5(AZEPAN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1(2H)ONE
2(5(AZEPAN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1ONE
C1CCCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5
InChI=1SC26H24N4O3c31262213761221(22)25(19104351119)2729(26)241820(141523(24)30(32)33)281681291728h37101518H12891617H2
MFCD04074838
ZINC000009891974
ZINC09891974
ZINC9891974
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