Vitas-M small molecule compound

2-[2-(2-bromophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-N,N-diethylethanamine

Catalog ID
STK945374
SMILES CCN(CCn1c(C)c(c2c1ncn1c2nc(n1)c1ccccc1Br)C)CC

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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 C21H25BrN6 MW 441.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN6/c1-5-26(6-2)11-12-27-15(4)14(3)18-20(27)23-13-28-21(18)24-19(25-28)16-9-7-8-10-17(16)22/h7-10,13H,5-6,11-12H2,1-4H3
InChIKey
JGXBZRYSIRLQIP-UHFFFAOYSA-N
Synonyms
950345-41-2
2(2(2bromophenyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)NNdiethylethanamine
950345412
CCN(CC)CCN1C(=C(C2=C1N=CN3C2=NC(=N3)C4=CC=CC=C4Br)C)C
InChI=1SC21H25BrN6c1526(62)11122715(4)14(3)1820(27)23132821(18)2419(2528)169781017(16)22h71013H561112H214H3
MFCD18180606
ZINC000021801860
ZINC21801860

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Available files

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