Vitas-M small molecule compound

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

Catalog ID
STK601517
SMILES CN(CCCn1c(C)c(c2c1ncn1c2nc(n1)c1ccccc1Br)C)C

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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 C20H23BrN6 MW 427.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrN6/c1-13-14(2)26(11-7-10-25(3)4)19-17(13)20-23-18(24-27(20)12-22-19)15-8-5-6-9-16(15)21/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKey
SHEIQTHSQDXKOG-UHFFFAOYSA-N
Synonyms
903590-96-5
3(2(2bromophenyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)NNdimethylpropan1amine
903590965
CC1=C(N(C2=C1C3=NC(=NN3C=N2)C4=CC=CC=C4Br)CCCN(C)C)C
InChI=1SC20H23BrN6c11314(2)26(1171025(3)4)1917(13)202318(2427(20)122219)15856916(15)21h568912H71011H214H3
MFCD08289665
ZINC000009410292
ZINC9410292

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Available files

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