Vitas-M small molecule compound

2-(7-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4-ium-5-yl)phenolate

Catalog ID
STL039387
SMILES [O-]c1ccccc1C1=[NH+]c2ncnn2C(C1)c1ccccc1

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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 C17H14N4O MW 290.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O/c22-16-9-5-4-8-13(16)14-10-15(12-6-2-1-3-7-12)21-17(20-14)18-11-19-21/h1-9,11,15,22H,10H2
InChIKey
RDIGCZDUBYYNDX-UHFFFAOYSA-N
Synonyms
123990-41-0
(O)c1ccccc1C1=(NH+)c2ncnn2C(C1)c1ccccc1
123990410
2(7phenyl67dihydro(124)triazolo(15a)pyrimidin4ium5yl)phenolate
MFCD00524737
ZINC000013127821
ZINC000013127822

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Available files

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