Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK471647
SMILES CCOC(=O)c1ccsc1NC(=O)C1C2CCC(C1C(=O)O)CC2
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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 C17H21NO5S MW 351.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO5S/c1-2-23-17(22)11-7-8-24-15(11)18-14(19)12-9-3-5-10(6-4-9)13(12)16(20)21/h7-10,12-13H,2-6H2,1H3,(H,18,19)(H,20,21)InChIKey
WNXDVMAMZKSKDW-UHFFFAOYSA-NSynonyms
2((3ethoxycarbonylthiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3(ethoxycarbonyl)thiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3(ETHOXYCARBONYL)2THIENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
CCOC(=O)C1=C(SC=C1)NC(=O)C2C3CCC(C2C(=O)O)CC3
InChI=1SC17H21NO5Sc122317(22)11782415(11)1814(19)1293510(649)13(12)16(20)21h7101213H26H21H3(H1819)(H2021)
MFCD06025658
ZINC000017072900
ZINC000017072903
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