Vitas-M small molecule compound

ethyl 5-(benzyloxy)-1-{[(E)-(2-methylphenyl)methylidene]amino}-1H-1,2,3-triazole-4-carboxylate

Catalog ID
STL446639
SMILES CCOC(=O)c1nnn(c1OCc1ccccc1)/N=C/c1ccccc1C

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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 C20H20N4O3 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3/c1-3-26-20(25)18-19(27-14-16-10-5-4-6-11-16)24(23-22-18)21-13-17-12-8-7-9-15(17)2/h4-13H,3,14H2,1-2H3/b21-13+
InChIKey
RGKAUZLAVHJERT-FYJGNVAPSA-N
Synonyms

CCOC(=O)C1=C(N(N=N1)N=CC2=CC=CC=C2C)OCC3=CC=CC=C3
CCOC(=O)c1nnn(c1OCc1ccccc1)N=Cc1ccccc1C
ethyl1((E)(2methylphenyl)methylideneamino)5phenylmethoxytriazole4carboxylate
ethyl5(benzyloxy)1(((E)(2methylphenyl)methylidene)amino)1H123triazole4carboxylate
InChI=1SC20H20N4O3c132620(25)1819(271416105461116)24(232218)2113171287915(17)2h413H314H212H3b2113+
MFCD06242788
ZINC000001417744
ZINC33337967

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Available files

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