Vitas-M small molecule compound

(5-bromo-1H-indol-2-yl)[4-(3-methoxyphenyl)piperazin-1-yl]methanone

Catalog ID
STK601568
SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Br

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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 C20H20BrN3O2 MW 414.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O2/c1-26-17-4-2-3-16(13-17)23-7-9-24(10-8-23)20(25)19-12-14-11-15(21)5-6-18(14)22-19/h2-6,11-13,22H,7-10H2,1H3
InChIKey
FQDMXWBVMSGXKY-UHFFFAOYSA-N
Synonyms
903851-65-0
(5bromo1Hindol2yl)(4(3methoxyphenyl)piperazin1yl)methanone
903851650
COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)Br
COc1cccc(c1)N1CCN(CC1)C(=O)c1cc2c((nH)1)ccc(c2)Br
InChI=1SC20H20BrN3O2c1261742316(1317)237924(10823)20(25)1912141115(21)5618(14)2219h26111322H710H21H3
MFCD08285153
ZINC000006661687
ZINC06661687
ZINC6661687

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Available files

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