Vitas-M small molecule compound
2-cyclohexyl-7-(3-methoxyphenyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Catalog ID
STL199019
SMILES COc1cccc(c1)n1ccc2c(c1=O)cnc1n2nc(n1)C1CCCCC1
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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 C21H21N5O2 MW 375.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2/c1-28-16-9-5-8-15(12-16)25-11-10-18-17(20(25)27)13-22-21-23-19(24-26(18)21)14-6-3-2-4-7-14/h5,8-14H,2-4,6-7H2,1H3InChIKey
NTDQCSJWTLHLAI-UHFFFAOYSA-NSynonyms
2cyclohexyl7(3methoxyphenyl)pyrido(34e)(124)triazolo(15a)pyrimidin6(7H)one
COC1=CC=CC(=C1)N2C=CC3=C(C2=O)C=NC4=NC(=NN34)C5CCCCC5
InChI=1SC21H21N5O2c1281695815(1216)2511101817(20(25)27)1322212319(2426(18)21)146324714h5814H2467H21H3
MFCD20504386
ZINC000071385241
ZINC71385241
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