Vitas-M small molecule compound
7-(1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
Catalog ID
STL492821
SMILES COc1cc(CCc2nn3c(n2)nccc3c2ccc3c(c2)OCO3)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 C22H20N4O4 MW 404.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4/c1-27-17-6-3-14(11-19(17)28-2)4-8-21-24-22-23-10-9-16(26(22)25-21)15-5-7-18-20(12-15)30-13-29-18/h3,5-7,9-12H,4,8,13H2,1-2H3InChIKey
QEZURJKTHHPFCS-UHFFFAOYSA-NSynonyms
7(13benzodioxol5yl)2(2(34dimethoxyphenyl)ethyl)(124)triazolo(15a)pyrimidine
7(benzo(d)(13)dioxol5yl)2(34dimethoxyphenethyl)(124)triazolo(15a)pyrimidine
COC1=C(C=C(C=C1)CCC2=NN3C(=CC=NC3=N2)C4=CC5=C(C=C4)OCO5)OC
InChI=1SC22H20N4O4c127176314(1119(17)282)482124222310916(26(22)2521)15571820(1215)30132918h357912H4813H212H3
MFCD29057558
ZINC000253412208
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