Vitas-M small molecule compound
3-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK472020
SMILES CCCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)CC3)sc2c1CCCC2
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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 C22H29NO5S MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5S/c1-2-11-28-22(27)18-14-5-3-4-6-15(14)29-20(18)23-19(24)16-12-7-9-13(10-8-12)17(16)21(25)26/h12-13,16-17H,2-11H2,1H3,(H,23,24)(H,25,26)InChIKey
FKYYYXZWVWYSCY-UHFFFAOYSA-NSynonyms
2((3propoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3(propoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CCC(C3C(=O)O)CC4
InChI=1SC22H29NO5Sc12112822(27)1814534615(14)2920(18)2319(24)16127913(10812)17(16)21(25)26h12131617H211H21H3(H2324)(H2526)
MFCD06060099
ZINC000017091904
ZINC000017091907
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