Vitas-M small molecule compound
3-{[4-(3-bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK960058
SMILES CCOC(=O)c1c(scc1c1cccc(c1)Br)NC(=O)C1C2CCC(C1C(=O)O)O2
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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 C21H20BrNO6S MW 494.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO6S/c1-2-28-21(27)15-12(10-4-3-5-11(22)8-10)9-30-19(15)23-18(24)16-13-6-7-14(29-13)17(16)20(25)26/h3-5,8-9,13-14,16-17H,2,6-7H2,1H3,(H,23,24)(H,25,26)InChIKey
HTNXRTIQLQKXHW-UHFFFAOYSA-NSynonyms
2((4(3BROMOPHENYL)3ETHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((4(3bromophenyl)3(ethoxycarbonyl)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)Br)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC21H20BrNO6Sc122821(27)1512(1043511(22)810)93019(15)2318(24)16136714(2913)17(16)20(25)26h358913141617H267H21H3(H2324)(H2526)
MFCD02373080
ZINC000136731385
ZINC000225620009
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