Vitas-M small molecule compound
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide
Catalog ID
STL435265
SMILES CCOc1cc(CCNC(=O)CC(c2c(O)cc(oc2=O)C)c2cc(OC)c3c(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 C29H33NO9 MW 539.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO9/c1-5-35-22-8-7-18(12-23(22)36-6-2)9-10-30-26(32)15-20(27-21(31)11-17(3)39-29(27)33)19-13-24(34-4)28-25(14-19)37-16-38-28/h7-8,11-14,20,31H,5-6,9-10,15-16H2,1-4H3,(H,30,32)InChIKey
LHMRZJBJXOQFET-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)CCNC(=O)CC(C2=CC3=C(C(=C2)OC)OCO3)C4=C(C=C(OC4=O)C)O)OCC
InChI=1SC29H33NO9c1535228718(1223(22)3662)9103026(32)1520(2721(31)1117(3)3929(27)33)191324(344)2825(1419)37163828h7811142031H569101516H214H3(H3032)
MFCD30711801
N(2(34diethoxyphenyl)ethyl)3(4hydroxy6methyl2oxo2Hpyran3yl)3(7methoxy13benzodioxol5yl)propanamide
N(2(34diethoxyphenyl)ethyl)3(4hydroxy6methyl2oxopyran3yl)3(7methoxy13benzodioxol5yl)propanamide
ZINC000253471071
ZINC000253471072
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