Vitas-M small molecule compound
9-(4-butoxyphenyl)-2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one
Catalog ID
STL128842
SMILES CCCCOc1ccc(cc1)c1nn2c(c1)c1nn(c(=O)n1cc2)CC(=O)N1CCCc2c1cccc2
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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 C28H28N6O3 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O3/c1-2-3-17-37-22-12-10-20(11-13-22)23-18-25-27-30-34(28(36)32(27)15-16-33(25)29-23)19-26(35)31-14-6-8-21-7-4-5-9-24(21)31/h4-5,7,9-13,15-16,18H,2-3,6,8,14,17,19H2,1H3InChIKey
KWJHDIXDWIWVMT-UHFFFAOYSA-NSynonyms
9(4butoxyphenyl)2(2(34dihydroquinolin1(2H)yl)2oxoethyl)pyrazolo(15a)(124)triazolo(34c)pyrazin3(2H)one
CCCCOC1=CC=C(C=C1)C2=NN3C=CN4C(=NN(C4=O)CC(=O)N5CCCC6=CC=CC=C65)C3=C2
InChI=1SC28H28N6O3c123173722121020(111322)231825273034(28(36)32(27)151633(25)2923)1926(35)31146821745924(21)31h457913151618H2368141719H21H3
MFCD20742676
ZINC000067290620
ZINC67290620
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