Vitas-M small molecule compound
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yloxy)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
Catalog ID
STL510888
SMILES COc1ccc(c(c1)O)c1n[nH]c(c1Oc1ccc2c(c1)OCCCO2)C
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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 C20H20N2O5 MW 368.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5/c1-12-20(19(22-21-12)15-6-4-13(24-2)10-16(15)23)27-14-5-7-17-18(11-14)26-9-3-8-25-17/h4-7,10-11,23H,3,8-9H2,1-2H3,(H,21,22)InChIKey
FPXDJXQNSPDUHA-UHFFFAOYSA-NSynonyms
383374-96-7(6E)6(4(34DIHYDRO2H15BENZODIOXEPIN7YLOXY)5METHYL12DIHYDROPYRAZOL3YLIDENE)3METHOXYCYCLOHEXA24DIEN1ONE
1425288
2(4((34dihydro2Hbenzo(b)(14)dioxepin7yl)oxy)5methyl1Hpyrazol3yl)5methoxyphenol
2(4(34dihydro2~(H)15benzodioxepin7yloxy)5methyl1~(H)pyrazol3yl)5methoxyphenol
2(4(34dihydro2H15benzodioxepin7yloxy)5methyl1Hpyrazol3yl)5methoxyphenol
383374967
6(4(34DIHYDRO2H15BENZODIOXEPIN7YLOXY)5METHYL12DIHYDROPYRAZOL3YLIDENE)3METHOXYCYCLOHEXA24DIEN1ONE
COc1ccc(c(c1)O)c1n(nH)c(c1Oc1ccc2c(c1)OCCCO2)C
InChI=1SC20H20N2O5c11220(19(222112)156413(242)1016(15)23)2714571718(1114)269382517h47101123H389H212H3(H2122)
MFCD01544793
ZINC000003985118
ZINC3985118
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