Vitas-M small molecule compound

N-[4-(azepan-1-ylcarbonyl)-1-phenyl-1H-pyrazol-5-yl]-3-fluorobenzamide

Catalog ID
STK004187
SMILES Fc1cccc(c1)C(=O)Nc1c(cnn1c1ccccc1)C(=O)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 C23H23FN4O2 MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23FN4O2/c24-18-10-8-9-17(15-18)22(29)26-21-20(23(30)27-13-6-1-2-7-14-27)16-25-28(21)19-11-4-3-5-12-19/h3-5,8-12,15-16H,1-2,6-7,13-14H2,(H,26,29)
InChIKey
WKUBAZIGTVHZGH-UHFFFAOYSA-N
Synonyms

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)F
Fc1cccc(c1)C(=O)Nc1c(cnn1c1ccccc1)C(=O)N1CCCCCC1
InChI=1SC23H23FN4O2c2418108917(1518)22(29)262120(23(30)271361271427)162528(21)19114351219h358121516H12671314H2(H2629)
MFCD02221081
N(4(1AZEPANYLCARBONYL)1PHENYL1HPYRAZOL5YL)3FLUOROBENZAMIDE
N(4(AZEPAN1YLCARBONYL)1PHENYL1HPYRAZOL5YL)3FLUOROBENZAMIDE
N(4(AZEPANE1CARBONYL)2PHENYLPYRAZOL3YL)3FLUOROBENZAMIDE
STK004187
ZINC000000752779
ZINC00752779
ZINC752779

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Available files

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