Vitas-M small molecule compound
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Catalog ID
STK647842
SMILES COc1c(OC)ccc2c1C(=O)OC2N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C22H24N2O6 MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O6/c1-26-17-6-4-15-19(20(17)27-2)22(25)30-21(15)24-9-7-23(8-10-24)12-14-3-5-16-18(11-14)29-13-28-16/h3-6,11,21H,7-10,12-13H2,1-2H3InChIKey
XIQWSLPNOMYYNV-UHFFFAOYSA-NSynonyms
1092337-00-21092337002
3(4(13benzodioxol5ylmethyl)piperazin1yl)67dimethoxy2benzofuran1(3H)one
3(4(13benzodioxol5ylmethyl)piperazin1yl)67dimethoxy3H2benzofuran1one
3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)67dimethoxyisobenzofuran1(3H)one
COC1=C(C2=C(C=C1)C(OC2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC
InChI=1SC22H24N2O6c12617641519(20(17)272)22(25)3021(15)249723(81024)1214351618(1114)29132816h361121H7101213H212H3
MFCD12211908
ZINC000031807596
ZINC000031807601
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