Vitas-M small molecule compound

2-[(E)-{[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]imino}methyl]phenol

Catalog ID
STK764341
SMILES Oc1ccccc1/C=N/c1ccccc1c1nnc2n1CCCCC2

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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 C20H20N4O MW 332.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O/c25-18-11-6-3-8-15(18)14-21-17-10-5-4-9-16(17)20-23-22-19-12-2-1-7-13-24(19)20/h3-6,8-11,14,25H,1-2,7,12-13H2/b21-14+
InChIKey
VDOOATFLVHFHGU-KGENOOAVSA-N
Synonyms

2((E)((2(6789tetrahydro5H(124)triazolo(43a)azepin3yl)phenyl)imino)methyl)phenol
MFCD02932807
Oc1ccccc1C=Nc1ccccc1c1nnc2n1CCCCC2
ZINC000000088249

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Available files

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