Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK471996
SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C=C3)sc2c1CCC(C2)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 C22H27NO5S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S/c1-3-28-22(27)18-14-9-4-11(2)10-15(14)29-20(18)23-19(24)16-12-5-7-13(8-6-12)17(16)21(25)26/h5,7,11-13,16-17H,3-4,6,8-10H2,1-2H3,(H,23,24)(H,25,26)InChIKey
KTHFHVLRIZBOIV-UHFFFAOYSA-NSynonyms
2((3ethoxycarbonyl6methyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3(ethoxycarbonyl)6methyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3C4CCC(C3C(=O)O)C=C4
InChI=1SC22H27NO5Sc132822(27)18149411(2)1015(14)2920(18)2319(24)16125713(8612)17(16)21(25)26h5711131617H346810H212H3(H2324)(H2526)
MFCD06060437
ZINC000102345167
ZINC000239128765
Check stock
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