Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-N-(3-ethoxy-4-methoxybenzyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanamide
Catalog ID
STL435137
SMILES CCOc1cc(CNC(=O)CC(c2c(=O)oc3c(c2O)cccc3)c2ccc3c(c2)OCO3)ccc1OC
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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 C29H27NO8 MW 517.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO8/c1-3-35-24-12-17(8-10-22(24)34-2)15-30-26(31)14-20(18-9-11-23-25(13-18)37-16-36-23)27-28(32)19-6-4-5-7-21(19)38-29(27)33/h4-13,20,32H,3,14-16H2,1-2H3,(H,30,31)InChIKey
IEDXXNDFIUTHII-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)N((3ethoxy4methoxyphenyl)methyl)3(4hydroxy2oxochromen3yl)propanamide
3(13benzodioxol5yl)N(3ethoxy4methoxybenzyl)3(4hydroxy2oxo2Hchromen3yl)propanamide
CCOC1=C(C=CC(=C1)CNC(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C5=CC=CC=C5OC4=O)O)OC
InChI=1SC29H27NO8c1335241217(81022(24)342)153026(31)1420(189112325(1318)37163623)2728(32)19645721(19)3829(27)33h4132032H31416H212H3(H3031)
MFCD30711673
ZINC000253470909
ZINC000253470913
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