Vitas-M small molecule compound
2-(1,3-benzodioxol-5-ylmethyl)-9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one
Catalog ID
STL126114
SMILES CCCCOc1ccc(cc1)c1nn2c(c1)c1nn(c(=O)n1cc2)Cc1ccc2c(c1)OCO2
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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 C25H23N5O4 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O4/c1-2-3-12-32-19-7-5-18(6-8-19)20-14-21-24-27-30(25(31)28(24)10-11-29(21)26-20)15-17-4-9-22-23(13-17)34-16-33-22/h4-11,13-14H,2-3,12,15-16H2,1H3InChIKey
JLEINRMHXCTMJQ-UHFFFAOYSA-NSynonyms
2(13benzodioxol5ylmethyl)9(4butoxyphenyl)pyrazolo(15a)(124)triazolo(34c)pyrazin3(2H)one
CCCCOC1=CC=C(C=C1)C2=NN3C=CN4C(=NN(C4=O)CC5=CC6=C(C=C5)OCO6)C3=C2
InChI=1SC25H23N5O4c1231232197518(6819)201421242730(25(31)28(24)101129(21)2620)1517492223(1317)34163322h4111314H23121516H21H3
MFCD20738545
ZINC000067260510
ZINC67260510
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