Vitas-M small molecule compound

ethyl 1-[4-methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-carboxylate

Catalog ID
STK679761
SMILES CCOC(=O)c1n(nnc1c1ccccc1)c1nc(OC)nc(n1)N1CCOCC1

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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 C19H21N7O4 MW 411.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N7O4/c1-3-30-16(27)15-14(13-7-5-4-6-8-13)23-24-26(15)18-20-17(21-19(22-18)28-2)25-9-11-29-12-10-25/h4-8H,3,9-12H2,1-2H3
InChIKey
IRJOBXRYLBNAKM-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N=NN1C2=NC(=NC(=N2)OC)N3CCOCC3)C4=CC=CC=C4
ethyl1(4methoxy6(morpholin4yl)135triazin2yl)4phenyl1H123triazole5carboxylate
ETHYL3(4METHOXY6MORPHOLIN4YL135TRIAZIN2YL)5PHENYLTRIAZOLE4CARBOXYLATE
InChI=1SC19H21N7O4c133016(27)1514(137546813)232426(15)182017(2119(2218)282)2591129121025h48H3912H212H3
MFCD03765969
ZINC000001072750
ZINC01072750
ZINC1072750

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Available files

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