Vitas-M small molecule compound
1-{2-(4-methoxyphenyl)-5-[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]-2H-1,2,3-triazol-4-yl}-4-(pyridin-2-yl)piperazine
Catalog ID
STL442022
SMILES COc1ccc(cc1)n1nc(c(n1)c1nnc([nH]1)c1cccnc1)N1CCN(CC1)c1ccccn1
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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 C25H24N10O MW 480.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N10O/c1-36-20-9-7-19(8-10-20)35-31-22(24-28-23(29-30-24)18-5-4-11-26-17-18)25(32-35)34-15-13-33(14-16-34)21-6-2-3-12-27-21/h2-12,17H,13-16H2,1H3,(H,28,29,30)InChIKey
HMZHUZPMVKETII-UHFFFAOYSA-NSynonyms
1(2(4methoxyphenyl)5(3pyridin3yl1H124triazol5yl)triazol4yl)4pyridin2ylpiperazine
1(2(4methoxyphenyl)5(5(pyridin3yl)4H124triazol3yl)2H123triazol4yl)4(pyridin2yl)piperazine
COC1=CC=C(C=C1)N2N=C(C(=N2)N3CCN(CC3)C4=CC=CC=N4)C5=NC(=NN5)C6=CN=CC=C6
COc1ccc(cc1)n1nc(c(n1)c1nnc((nH)1)c1cccnc1)N1CCN(CC1)c1ccccn1
InChI=1SC25H24N10Oc136209719(81020)353122(242823(293024)185411261718)25(3235)34151333(141634)21623122721h21217H1316H21H3(H282930)
MFCD09992713
ZINC000033435941
ZINC33435941
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