Vitas-M small molecule compound
ethyl 2-({[5-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate
Catalog ID
STL079934
SMILES CCOC(=O)c1ccccc1NC(=O)Cn1nc2n(c1=O)c(nc(c2)C)N1CCc2c(C1)cccc2
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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 C26H26N6O4 MW 486.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6O4/c1-3-36-24(34)20-10-6-7-11-21(20)28-23(33)16-31-26(35)32-22(29-31)14-17(2)27-25(32)30-13-12-18-8-4-5-9-19(18)15-30/h4-11,14H,3,12-13,15-16H2,1-2H3,(H,28,33)InChIKey
OGAKUABVAAARDK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)N3C(=N2)C=C(N=C3N4CCC5=CC=CC=C5C4)C
ethyl2(((5(34dihydroisoquinolin2(1H)yl)7methyl3oxo(124)triazolo(43c)pyrimidin2(3H)yl)acetyl)amino)benzoate
ethyl2((2(5(34dihydro1Hisoquinolin2yl)7methyl3oxo(124)triazolo(43c)pyrimidin2yl)acetyl)amino)benzoate
InChI=1SC26H26N6O4c133624(34)2010671121(20)2823(33)163126(35)3222(2931)1417(2)2725(32)30131218845919(18)1530h41114H312131516H212H3(H2833)
MFCD18200700
ZINC000067219674
ZINC67219674
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