Vitas-M small molecule compound

3-[(4-bromophenoxy)methyl]-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]benzamide

Catalog ID
STK302286
SMILES Brc1ccc(cc1)OCc1cccc(c1)C(=O)Nc1ccn(n1)C12CC3CC(C2)CC(C1)C3

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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 C27H28BrN3O2 MW 506.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrN3O2/c28-23-4-6-24(7-5-23)33-17-18-2-1-3-22(13-18)26(32)29-25-8-9-31(30-25)27-14-19-10-20(15-27)12-21(11-19)16-27/h1-9,13,19-21H,10-12,14-17H2,(H,29,30,32)
InChIKey
RKVMSGNNBIQBSV-UHFFFAOYSA-N
Synonyms
512817-57-1
3((4bromophenoxy)methyl)N(1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)benzamide
512817571
C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=O)C5=CC(=CC=C5)COC6=CC=C(C=C6)Br
InChI=1SC27H28BrN3O2c28234624(7523)33171821322(1318)26(32)29258931(3025)2714191020(1527)1221(1119)1627h19131921H10121417H2(H293032)
MFCD03468087
N(1(1ADAMANTYL)1HPYRAZOL3YL)3((4BROMOPHENOXY)METHYL)BENZAMIDE
N(1(1ADAMANTYL)PYRAZOL3YL)3((4BROMOPHENOXY)METHYL)BENZAMIDE
ZINC000008455413
ZINC08455413
ZINC8455413

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Available files

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