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-phenylpiperazine
Catalog ID
STL442020
SMILES COc1ccc(cc1)n1nc(c(n1)c1nnc([nH]1)c1cccnc1)N1CCN(CC1)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 C26H25N9O MW 479.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N9O/c1-36-22-11-9-21(10-12-22)35-31-23(25-28-24(29-30-25)19-6-5-13-27-18-19)26(32-35)34-16-14-33(15-17-34)20-7-3-2-4-8-20/h2-13,18H,14-17H2,1H3,(H,28,29,30)InChIKey
HDDVPJRJJIXQRH-UHFFFAOYSA-NSynonyms
1(2(4methoxyphenyl)5(3pyridin3yl1H124triazol5yl)triazol4yl)4phenylpiperazine
1(2(4methoxyphenyl)5(5(pyridin3yl)4H124triazol3yl)2H123triazol4yl)4phenylpiperazine
COC1=CC=C(C=C1)N2N=C(C(=N2)N3CCN(CC3)C4=CC=CC=C4)C5=NC(=NN5)C6=CN=CC=C6
COc1ccc(cc1)n1nc(c(n1)c1nnc((nH)1)c1cccnc1)N1CCN(CC1)c1ccccc1
InChI=1SC26H25N9Oc1362211921(101222)353123(252824(293025)196513271819)26(3235)34161433(151734)207324820h21318H1417H21H3(H282930)
MFCD09992711
ZINC000033435939
ZINC33435939
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