Vitas-M small molecule compound
ethyl 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL159141
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccc(o1)c1nc2c(s1)cccc2
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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 C22H19NO7S MW 441.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO7S/c1-2-28-19(26)10-13(21-20(27)15(25)9-12(11-24)29-21)16-7-8-17(30-16)22-23-14-5-3-4-6-18(14)31-22/h3-9,13,24,27H,2,10-11H2,1H3InChIKey
CCSIWCZNIMYICF-UHFFFAOYSA-NSynonyms
1324093-54-01324093540
CCOC(=O)CC(C1=CC=C(O1)C2=NC3=CC=CC=C3S2)C4=C(C(=O)C=C(O4)CO)O
ethyl3(5(13benzothiazol2yl)furan2yl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(5(13benzothiazol2yl)furan2yl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
ethyl3(5(benzo(d)thiazol2yl)furan2yl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
InChI=1SC22H19NO7Sc122819(26)1013(2120(27)15(25)912(1124)2921)167817(3016)222314534618(14)3122h39132427H21011H21H3
MFCD19710031
ZINC000071282959
ZINC000071282960
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