Vitas-M small molecule compound

4-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1(2H)-one

Catalog ID
STK238650
SMILES O=c1n(C)nc(c2c1cccc2)c1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)Cc1ccccc1

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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 C27H26N4O3 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3/c1-29-27(32)23-10-6-5-9-22(23)26(28-29)21-11-12-24(25(18-21)31(33)34)30-15-13-20(14-16-30)17-19-7-3-2-4-8-19/h2-12,18,20H,13-17H2,1H3
InChIKey
GRKYAVDSLFXMSU-UHFFFAOYSA-N
Synonyms
674329-98-7
4(4(4benzylpiperidin1yl)3nitrophenyl)2methylphthalazin1(2H)one
4(4(4BENZYLPIPERIDIN1YL)3NITROPHENYL)2METHYLPHTHALAZIN1ONE
674329987
CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCC(CC4)CC5=CC=CC=C5)(N+)(=O)(O)
InChI=1SC27H26N4O3c12927(32)231065922(23)26(2829)21111224(25(1821)31(33)34)30151320(141630)17197324819h2121820H1317H21H3
MFCD04014256
O=c1n(C)nc(c2c1cccc2)c1ccc(c(c1)(N+)(=O)(O))N1CCC(CC1)Cc1ccccc1
ZINC000009191274
ZINC09191274
ZINC9191274

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Available files

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