Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)propanamide
Catalog ID
STL435225
SMILES CCOc1cc(CCNC(=O)CC(c2c(O)cc(oc2=O)C)c2ccc3c(c2)OCO3)ccc1OCC
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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 C28H31NO8 MW 509.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO8/c1-4-33-22-8-6-18(13-24(22)34-5-2)10-11-29-26(31)15-20(27-21(30)12-17(3)37-28(27)32)19-7-9-23-25(14-19)36-16-35-23/h6-9,12-14,20,30H,4-5,10-11,15-16H2,1-3H3,(H,29,31)InChIKey
OMLDMTDWGFXSRT-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)N(2(34diethoxyphenyl)ethyl)3(4hydroxy6methyl2oxo2Hpyran3yl)propanamide
3(13benzodioxol5yl)N(2(34diethoxyphenyl)ethyl)3(4hydroxy6methyl2oxopyran3yl)propanamide
CCOC1=C(C=C(C=C1)CCNC(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(OC4=O)C)O)OCC
InChI=1SC28H31NO8c1433228618(1324(22)3452)10112926(31)1520(2721(30)1217(3)3728(27)32)19792325(1419)36163523h6912142030H4510111516H213H3(H2931)
MFCD30711761
ZINC000253471254
ZINC000253471255
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