Vitas-M small molecule compound
3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy}-2-methyl-4H-pyran-4-one
Catalog ID
STK935942
SMILES O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)COc1c(C)occc1=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 C20H22N2O6 MW 386.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6/c1-14-20(16(23)4-9-25-14)26-12-19(24)22-7-5-21(6-8-22)11-15-2-3-17-18(10-15)28-13-27-17/h2-4,9-10H,5-8,11-13H2,1H3InChIKey
SRUOOBHBKMGYDE-UHFFFAOYSA-NSynonyms
1219553-17-91219553179
3(2(4(13benzodioxol5ylmethyl)piperazin1yl)2oxoethoxy)2methyl4Hpyran4one
3(2(4(13benzodioxol5ylmethyl)piperazin1yl)2oxoethoxy)2methylpyran4one
3(2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)2oxoethoxy)2methyl4Hpyran4one
CC1=C(C(=O)C=CO1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI=1SC20H22N2O6c11420(16(23)492514)261219(24)227521(6822)1115231718(1015)28132717h24910H581113H21H3
MFCD16626514
ZINC000040286767
ZINC40286767
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