Vitas-M small molecule compound
3-{[9-(4-butoxyphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]methyl}benzonitrile
Catalog ID
STL126116
SMILES CCCCOc1ccc(cc1)c1nn2c(c1)c1nn(c(=O)n1cc2)Cc1cccc(c1)C#N
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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 C25H22N6O2 MW 438.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O2/c1-2-3-13-33-21-9-7-20(8-10-21)22-15-23-24-28-31(17-19-6-4-5-18(14-19)16-26)25(32)29(24)11-12-30(23)27-22/h4-12,14-15H,2-3,13,17H2,1H3InChIKey
LPFYMMOJXTYXSQ-UHFFFAOYSA-NSynonyms
1326943-02-51326943025
3((9(4butoxyphenyl)3oxopyrazolo(15a)(124)triazolo(34c)pyrazin2(3H)yl)methyl)benzonitrile
CCCCOC1=CC=C(C=C1)C2=NN3C=CN4C(=NN(C4=O)CC5=CC=CC(=C5)C#N)C3=C2
InChI=1SC25H22N6O2c1231333219720(81021)221523242831(171964518(1419)1626)25(32)29(24)111230(23)2722h4121415H231317H21H3
MFCD20738547
ZINC000067260515
ZINC67260515
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