Vitas-M small molecule compound

Catalog ID
STK920502
SMILES C=CCn1c[nH]c2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccc(c1)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 C22H16BrN6O MW 460.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN6O/c1-2-10-28-13-24-20-18(22(28)30)19-21(27-17-9-4-3-8-16(17)26-19)29(20)25-12-14-6-5-7-15(23)11-14/h2-9,11-13H,1,10H2,(H,24,30)/b25-12+
InChIKey
XJBMKZADMWNBCZ-BRJLIKDPSA-N
Synonyms

C=CCn1c(nH)c2c(c1=O)c1nc3ccccc3nc1n2N=Cc1cccc(c1)Br
MFCD18175825

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Available files

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