Vitas-M small molecule compound

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

Catalog ID
STK838702
SMILES [O-][N+](=O)c1c(Nc2c(C)n(n(c2=O)c2ccccc2)C)cc(c2c1non2)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 C23H25N7O4 MW 463.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N7O4/c1-15-19(23(31)29(27(15)2)16-10-6-5-7-11-16)24-17-14-18(28-12-8-3-4-9-13-28)20-21(26-34-25-20)22(17)30(32)33/h5-7,10-11,14,24H,3-4,8-9,12-13H2,1-2H3
InChIKey
DZOJLJJBUYLRAF-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1c(Nc2c(C)n(n(c2=O)c2ccccc2)C)cc(c2c1non2)N1CCCCCC1
4((7(1AZEPANYL)4NITRO213BENZOXADIAZOL5YL)AMINO)15DIMETHYL2PHENYL12DIHYDRO3HPYRAZOL3ONE
4((7(azepan1yl)4nitro213benzoxadiazol5yl)amino)15dimethyl2phenyl12dihydro3Hpyrazol3one
4((7(AZEPAN1YL)4NITRO213BENZOXADIAZOL5YL)AMINO)15DIMETHYL2PHENYLPYRAZOL3ONE
4((7(azepan1yl)4nitrobenzo(c)(125)oxadiazol5yl)amino)15dimethyl2phenyl1Hpyrazol3(2H)one
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)N5CCCCCC5)(N+)(=O)(O)
InChI=1SC23H25N7O4c11519(23(31)29(27(15)2)16106571116)24171418(281283491328)2021(26342520)22(17)30(32)33h5710111424H34891213H212H3
MFCD02168257
ZINC000008444459
ZINC08444459
ZINC8444459

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.