Vitas-M small molecule compound

(5-bromo-3-methyl-1H-indol-2-yl)(4-ethylpiperazin-1-yl)methanone

Catalog ID
STK597688
SMILES CCN1CCN(CC1)C(=O)c1[nH]c2c(c1C)cc(cc2)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 C16H20BrN3O MW 350.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20BrN3O/c1-3-19-6-8-20(9-7-19)16(21)15-11(2)13-10-12(17)4-5-14(13)18-15/h4-5,10,18H,3,6-9H2,1-2H3
InChIKey
UAUFSSQKDZKJIB-UHFFFAOYSA-N
Synonyms
898923-89-2
(5bromo3methyl1Hindol2yl)(4ethylpiperazin1yl)methanone
898923892
CCN1CCN(CC1)C(=O)c1(nH)c2c(c1C)cc(cc2)Br
CCN1CCN(CC1)C(=O)C2=C(C3=C(N2)C=CC(=C3)Br)C
InChI=1SC16H20BrN3Oc13196820(9719)16(21)1511(2)131012(17)4514(13)1815h451018H369H212H3
MFCD07641384
ZINC000057128695
ZINC57128695

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Available files

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