Vitas-M small molecule compound
1-{3,5-bis[(4-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-phenylpropan-1-one
Catalog ID
STK169716
SMILES COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)C(=O)CCc1ccccc1
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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/c1-34-23-13-8-21(9-14-23)18-28-26-30-27(29-19-22-10-15-24(35-2)16-11-22)32(31-26)25(33)17-12-20-6-4-3-5-7-20/h3-11,13-16H,12,17-19H2,1-2H3,(H2,28,29,30,31)InChIKey
UNVQMLSTZZDTCF-UHFFFAOYSA-NSynonyms
1(35BIS((4METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3PHENYLPROPAN1ONE
1(35BIS((4METHOXYPHENYL)METHYLAMINO)124TRIAZOL1YL)3PHENYLPROPAN1ONE
COC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OC)C(=O)CCC4=CC=CC=C4
InChI=1SC27H29N5O3c1342313821(91423)1828263027(291922101524(352)161122)32(3126)25(33)1712206435720h3111316H121719H212H3(H228293031)
MFCD06630321
ZINC000009847033
ZINC09847033
ZINC9847033
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