Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK424238
SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)O3)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 C19H23NO6S MW 393.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO6S/c1-2-25-19(24)13-9-5-3-4-6-12(9)27-17(13)20-16(21)14-10-7-8-11(26-10)15(14)18(22)23/h10-11,14-15H,2-8H2,1H3,(H,20,21)(H,22,23)InChIKey
QDXLTUZRKPUQNP-UHFFFAOYSA-NSynonyms
6131-37-92((3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
6131379
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC19H23NO6Sc122519(24)139534612(9)2717(13)2016(21)14107811(2610)15(14)18(22)23h10111415H28H21H3(H2021)(H2223)
MFCD01922598
ZINC000169354903
ZINC000239174509
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