Vitas-M small molecule compound
2-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazol-4-yl]benzene-1,4-diol
Catalog ID
STL568440
SMILES Oc1ccc(c(c1)c1cn[nH]c1c1ccc2c(c1)OCCCO2)O
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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 C18H16N2O4 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4/c21-12-3-4-15(22)13(9-12)14-10-19-20-18(14)11-2-5-16-17(8-11)24-7-1-6-23-16/h2-5,8-10,21-22H,1,6-7H2,(H,19,20)InChIKey
KKHSBGVEFQNPJM-UHFFFAOYSA-NSynonyms
125433051
2(3(34dihydro2Hbenzo(b)(14)dioxepin7yl)1Hpyrazol4yl)benzene14diol
2(5(34dihydro2H15benzodioxepin7yl)1Hpyrazol4yl)benzene14diol
InChI=1SC18H16N2O4c21123415(22)13(912)1410192018(14)11251617(811)247162316h258102122H167H2(H1920)
MFCD32653532
Oc1ccc(c(c1)c1c(nH)nc1c1ccc2c(c1)OCCCO2)O
ZINC000524734492
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