Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK421898
SMILES CCOC(=O)c1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc(c1CC)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 C19H23NO5S MW 377.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO5S/c1-4-12-9(3)26-17(15(12)19(24)25-5-2)20-16(21)13-10-6-7-11(8-10)14(13)18(22)23/h6-7,10-11,13-14H,4-5,8H2,1-3H3,(H,20,21)(H,22,23)InChIKey
PQUSXSFVKJVREF-UHFFFAOYSA-NSynonyms
470472-82-32((3ETHOXYCARBONYL4ETHYL5METHYLTHIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3(((3(ETHOXYCARBONYL)4ETHYL5METHYL2THIENYL)AMINO)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((3(ethoxycarbonyl)4ethyl5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
470472823
CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2C3CC(C2C(=O)O)C=C3)C
InChI=1SC19H23NO5Sc14129(3)2617(15(12)19(24)2552)2016(21)13106711(810)14(13)18(22)23h6710111314H458H213H3(H2021)(H2223)
MFCD01342061
ZINC000100550024
ZINC000239174267
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