Vitas-M small molecule compound
ethyl 4-acetyl-2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-5-methylfuran-3-carboxylate
Catalog ID
STL287026
SMILES CCOC(=O)c1c(NC(=O)CN2C(=O)c3c(S2(=O)=O)cccc3)oc(c1C(=O)C)C
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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 C19H18N2O8S MW 434.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O8S/c1-4-28-19(25)16-15(10(2)22)11(3)29-17(16)20-14(23)9-21-18(24)12-7-5-6-8-13(12)30(21,26)27/h5-8H,4,9H2,1-3H3,(H,20,23)InChIKey
JIGOJGCKPAIEEU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O
ethyl4acetyl2(((11dioxido3oxo12benzothiazol2(3H)yl)acetyl)amino)5methylfuran3carboxylate
ethyl4acetyl5methyl2((2(113trioxo12benzothiazol2yl)acetyl)amino)furan3carboxylate
InChI=1SC19H18N2O8Sc142819(25)1615(10(2)22)11(3)2917(16)2014(23)92118(24)12756813(12)30(2126)27h58H49H213H3(H2023)
MFCD07620405
ZINC000009061683
ZINC9061683
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