Vitas-M small molecule compound
{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(phenyl)methanone
Catalog ID
STK179017
SMILES COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)c2ccccc2)ccc1OC
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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 C27H29N5O5 MW 503.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O5/c1-34-21-12-10-18(14-23(21)36-3)16-28-26-30-27(32(31-26)25(33)20-8-6-5-7-9-20)29-17-19-11-13-22(35-2)24(15-19)37-4/h5-15H,16-17H2,1-4H3,(H2,28,29,30,31)InChIKey
MERJJEMRBPRNPV-UHFFFAOYSA-NSynonyms
(35BIS((34DIMETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)(PHENYL)METHANONE
(35bis((34dimethoxyphenyl)methylamino)124triazol1yl)phenylmethanone
COC1=C(C=C(C=C1)CNC2=NN(C(=N2)NCC3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C4)OC
InChI=1SC27H29N5O5c13421121018(1423(21)363)1628263027(32(3126)25(33)208657920)291719111322(352)24(1519)374h515H1617H214H3(H228293031)
MFCD06664075
ZINC000009948676
ZINC09948676
ZINC9948676
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