Vitas-M small molecule compound

(6-bromo-1H-indol-3-yl)[4-(3-cyanopyridin-2-yl)piperazin-1-yl]acetic acid

Catalog ID
STK658537
SMILES N#Cc1cccnc1N1CCN(CC1)C(c1c[nH]c2c1ccc(c2)Br)C(=O)O

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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 C20H18BrN5O2 MW 440.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN5O2/c21-14-3-4-15-16(12-24-17(15)10-14)18(20(27)28)25-6-8-26(9-7-25)19-13(11-22)2-1-5-23-19/h1-5,10,12,18,24H,6-9H2,(H,27,28)
InChIKey
YJYZLYKFTIZUAE-UHFFFAOYSA-N
Synonyms
1144434-73-0
(6bromo1Hindol3yl)(4(3cyanopyridin2yl)piperazin1yl)aceticacid
2(6bromo1Hindol3yl)2(4(3cyanopyridin2yl)piperazin1yl)aceticacid
C1CN(CCN1C2=C(C=CC=N2)C#N)C(C3=CNC4=C3C=CC(=C4)Br)C(=O)O
N#Cc1cccnc1N1CCN(CC1)C(c1c(nH)c2c1ccc(c2)Br)C(=O)O
Registry IDs
MFCD12215399
ZINC000032095712
ZINC000032095714

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Available files

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