Vitas-M small molecule compound

N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-3-fluorobenzamide

Catalog ID
STK344779
SMILES CCCCc1ccc(cc1)n1nc2c(n1)ccc(c2)NC(=O)c1cccc(c1)F

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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 C23H21FN4O MW 388.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN4O/c1-2-3-5-16-8-11-20(12-9-16)28-26-21-13-10-19(15-22(21)27-28)25-23(29)17-6-4-7-18(24)14-17/h4,6-15H,2-3,5H2,1H3,(H,25,29)
InChIKey
YRGUDKYTFXUWEX-UHFFFAOYSA-N
Synonyms

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC=C4)F
InChI=1SC23H21FN4Oc12351681120(12916)282621131019(1522(21)2728)2523(29)1764718(24)1417h4615H235H21H3(H2529)
MFCD09965027
N(2(4butylphenyl)2Hbenzotriazol5yl)3fluorobenzamide
N(2(4butylphenyl)benzotriazol5yl)3fluorobenzamide
ZINC000012855603
ZINC12855603

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Available files

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