Vitas-M small molecule compound
1-{3,5-bis[(3-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-phenylpropan-1-one
Catalog ID
STK169737
SMILES COc1cccc(c1)CNc1nc(n(n1)C(=O)CCc1ccccc1)NCc1cccc(c1)OC
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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 C27H29N5O3 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3/c1-34-23-12-6-10-21(16-23)18-28-26-30-27(29-19-22-11-7-13-24(17-22)35-2)32(31-26)25(33)15-14-20-8-4-3-5-9-20/h3-13,16-17H,14-15,18-19H2,1-2H3,(H2,28,29,30,31)InChIKey
ZBGZZLZIPIQXPC-UHFFFAOYSA-NSynonyms
1(35BIS((3METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3PHENYLPROPAN1ONE
1(35bis((3methoxyphenyl)methylamino)124triazol1yl)3phenylpropan1one
COC1=CC=CC(=C1)CNC2=NN(C(=N2)NCC3=CC(=CC=C3)OC)C(=O)CCC4=CC=CC=C4
InChI=1SC27H29N5O3c134231261021(1623)1828263027(2919221171324(1722)352)32(3126)25(33)1514208435920h3131617H14151819H212H3(H228293031)
MFCD06663284
ZINC000009847046
ZINC09847046
ZINC9847046
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