Vitas-M small molecule compound

N-[1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide

Catalog ID
STK302479
SMILES Fc1cccc(c1)Cn1nc(c(c1C)NC(=O)c1cccc(c1)Cn1ncc(c1)[N+](=O)[O-])C

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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 C23H21FN6O3 MW 448.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN6O3/c1-15-22(16(2)29(27-15)13-18-6-4-8-20(24)10-18)26-23(31)19-7-3-5-17(9-19)12-28-14-21(11-25-28)30(32)33/h3-11,14H,12-13H2,1-2H3,(H,26,31)
InChIKey
UONWWFOBIVTSAD-UHFFFAOYSA-N
Synonyms
512825-35-3
512825353
CC1=C(C(=NN1CC2=CC(=CC=C2)F)C)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)(N+)(=O)(O)
Fc1cccc(c1)Cn1nc(c(c1C)NC(=O)c1cccc(c1)Cn1ncc(c1)(N+)(=O)(O))C
InChI=1SC23H21FN6O3c11522(16(2)29(2715)131864820(24)1018)2623(31)1973517(919)12281421(112528)30(32)33h31114H1213H212H3(H2631)
MFCD03468663
N(1((3FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)3((4NITROPYRAZOL1YL)METHYL)BENZAMIDE
N(1(3fluorobenzyl)35dimethyl1Hpyrazol4yl)3((4nitro1Hpyrazol1yl)methyl)benzamide
ZINC000000653373
ZINC00653373
ZINC653373

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Available files

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