Vitas-M small molecule compound

1,5-dimethyl-4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK550420
SMILES CC1CCCN(C1)c1cc(Nc2c(C)n(n(c2=O)c2ccccc2)C)c(c2c1non2)[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 C23H25N7O4 MW 463.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N7O4/c1-14-8-7-11-28(13-14)18-12-17(22(30(32)33)21-20(18)25-34-26-21)24-19-15(2)27(3)29(23(19)31)16-9-5-4-6-10-16/h4-6,9-10,12,14,24H,7-8,11,13H2,1-3H3
InChIKey
ISNDZBHOIDJLRT-UHFFFAOYSA-N
Synonyms
799809-27-1
15dimethyl4((7(3methylpiperidin1yl)4nitro213benzoxadiazol5yl)amino)2phenyl12dihydro3Hpyrazol3one
15DIMETHYL4((7(3METHYLPIPERIDIN1YL)4NITRO213BENZOXADIAZOL5YL)AMINO)2PHENYLPYRAZOL3ONE
15dimethyl4((7(3methylpiperidin1yl)4nitrobenzo(c)(125)oxadiazol5yl)amino)2phenyl1Hpyrazol3(2H)one
15DIMETHYL4(7(3METHYLPIPERIDIN1YL)4NITROBENZO(125)OXADIAZOL5YLAMINO)2PHENYL12DIHYDROPYRAZOL3ONE
799809271
CC1CCCN(C1)c1cc(Nc2c(C)n(n(c2=O)c2ccccc2)C)c(c2c1non2)(N+)(=O)(O)
CC1CCCN(C1)C2=CC(=C(C3=NON=C23)(N+)(=O)(O))NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C
InChI=1SC23H25N7O4c114871128(1314)181217(22(30(32)33)2120(18)25342621)241915(2)27(3)29(23(19)31)1695461016h46910121424H781113H213H3
MFCD03680053
ZINC000008687106
ZINC000013143483

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Available files

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