Vitas-M small molecule compound
N-[3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoyl]-beta-alanine
Catalog ID
STL546435
SMILES COc1c(ccc(c1OC)OC)C(c1c(O)cc(oc1=O)C)CC(=O)NCCC(=O)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 C21H25NO9 MW 435.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO9/c1-11-9-14(23)18(21(27)31-11)13(10-16(24)22-8-7-17(25)26)12-5-6-15(28-2)20(30-4)19(12)29-3/h5-6,9,13,23H,7-8,10H2,1-4H3,(H,22,24)(H,25,26)InChIKey
SZTXUMDSGDTUNL-UHFFFAOYSA-NSynonyms
110207315
3((3(4hydroxy6methyl2oxopyran3yl)3(234trimethoxyphenyl)propanoyl)amino)propanoicacid
3(3(4HYDROXY6METHYL2OXO2HPYRAN3YL)3(234TRIMETHOXYPHENYL)PROPANAMIDO)PROPANOICACID
InChI=1SC21H25NO9c111914(23)18(21(27)3111)13(1016(24)228717(25)26)125615(282)20(304)19(12)293h5691323H7810H214H3(H2224)(H2526)
MFCD29056100
N(3(4hydroxy6methyl2oxo2Hpyran3yl)3(234trimethoxyphenyl)propanoyl)betaalanine
ZINC000253413088
ZINC000253413089
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