Vitas-M small molecule compound
3-(ethoxycarbonyl)-5-hydroxy-2-methyl-1-benzofuran-6-sulfonic acid
Catalog ID
STK887880
SMILES CCOC(=O)c1c(C)oc2c1cc(O)c(c2)S(=O)(=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 C12H12O7S MW 300.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12O7S/c1-3-18-12(14)11-6(2)19-9-5-10(20(15,16)17)8(13)4-7(9)11/h4-5,13H,3H2,1-2H3,(H,15,16,17)InChIKey
ISQBUDLXCVRHGK-UHFFFAOYSA-NSynonyms
307552-20-13(ethoxycarbonyl)5hydroxy2methyl1benzofuran6sulfonicacid
3(ETHOXYCARBONYL)5HYDROXY2METHYLBENZO(B)FURAN6SULFONICACID
3(ETHOXYCARBONYL)5HYDROXY2METHYLBENZOFURAN6SULFONICACID
307552201
3ETHOXYCARBONYL5HYDROXY2METHYL1BENZOFURAN6SULFONICACID
5HYDROXY2METHYL6SULFOBENZOFURAN3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)S(=O)(=O)O)C
InChI=1SC12H12O7Sc131812(14)116(2)199510(20(1516)17)8(13)47(9)11h4513H3H212H3(H151617)
MFCD01943920
ZINC000001797707
ZINC1797707
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