Vitas-M small molecule compound
4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-7,8-dihydroxy-2H-chromen-2-one
Catalog ID
STL033745
SMILES O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)c(O)c(cc2)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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c25-17-3-2-16-15(10-20(26)30-22(16)21(17)27)12-24-7-5-23(6-8-24)11-14-1-4-18-19(9-14)29-13-28-18/h1-4,9-10,25,27H,5-8,11-13H2InChIKey
JTLVZXSRKQAEIN-UHFFFAOYSA-NSynonyms
4((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)78dihydroxy2Hchromen2one
4((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)METHYL)78DIHYDROXYCHROMEN2ONE
4((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)METHYL)78DIHYDROXYCHROMEN2ONE
4((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)methyl)78dihydroxy2Hchromen2onedihydrochloride
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=C4C=CC(=C5O)O
InChI=1SC22H22N2O6c2517321615(1020(26)3022(16)21(17)27)12247523(6824)1114141819(914)29132818h149102527H581113H2
MFCD05674365
O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)c(O)c(cc2)OClCl
ZINC000019370031
ZINC19370031
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