Vitas-M small molecule compound
methyl 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-5-ethylthiophene-3-carboxylate
Catalog ID
STL291206
SMILES CCc1cc(c(s1)NC(=O)CN1C(=O)c2c(S1(=O)=O)cccc2)C(=O)OC
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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 C17H16N2O6S2 MW 408.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O6S2/c1-3-10-8-12(17(22)25-2)15(26-10)18-14(20)9-19-16(21)11-6-4-5-7-13(11)27(19,23)24/h4-8H,3,9H2,1-2H3,(H,18,20)InChIKey
WRPFZSBJCUHDLS-UHFFFAOYSA-NSynonyms
CCC1=CC(=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)OC
InChI=1SC17H16N2O6S2c1310812(17(22)252)15(2610)1814(20)91916(21)11645713(11)27(1923)24h48H39H212H3(H1820)
methyl2(((11dioxido3oxo12benzothiazol2(3H)yl)acetyl)amino)5ethylthiophene3carboxylate
methyl5ethyl2((2(113trioxo12benzothiazol2yl)acetyl)amino)thiophene3carboxylate
MFCD24850250
ZINC000095482170
ZINC95482170
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