Vitas-M small molecule compound
ethyl 1-{4-[benzyl(methyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STK688212
SMILES CCOC(=O)c1nnn(c1C)c1nc(nc(n1)n1cccc1)N(Cc1ccccc1)C
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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 C21H22N8O2 MW 418.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N8O2/c1-4-31-18(30)17-15(2)29(26-25-17)21-23-19(22-20(24-21)28-12-8-9-13-28)27(3)14-16-10-6-5-7-11-16/h5-13H,4,14H2,1-3H3InChIKey
CUNATXLQDVDIIQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=NC(=NC(=N2)N3C=CC=C3)N(C)CC4=CC=CC=C4)C
ethyl1(4(benzyl(methyl)amino)6(1Hpyrrol1yl)135triazin2yl)5methyl1H123triazole4carboxylate
ETHYL1(4(BENZYL(METHYL)AMINO)6PYRROL1YL135TRIAZIN2YL)5METHYLTRIAZOLE4CARBOXYLATE
InChI=1SC21H22N8O2c143118(30)1715(2)29(262517)212319(2220(2421)2812891328)27(3)1416106571116h513H414H213H3
MFCD07657084
ZINC000004771478
ZINC04771478
ZINC4771478
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