Vitas-M small molecule compound
3-{[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK429666
SMILES CCOC(=O)c1cc(NC(=O)C2C3CCC(C2C(=O)O)O3)cc(c1)C(=O)OCC
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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 C20H23NO8 MW 405.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO8/c1-3-27-19(25)10-7-11(20(26)28-4-2)9-12(8-10)21-17(22)15-13-5-6-14(29-13)16(15)18(23)24/h7-9,13-16H,3-6H2,1-2H3,(H,21,22)(H,23,24)InChIKey
KFAGGKYAWMFPEC-UHFFFAOYSA-NSynonyms
2((35BIS(ETHOXYCARBONYL)ANILINO)OXOMETHYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
2((35BIS(ETHOXYCARBONYL)PHENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
2((35DICARBETHOXYPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((35bis(ethoxycarbonyl)phenyl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N(35BIS(ETHOXYCARBONYL)PHENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2C3CCC(C2C(=O)O)O3)C(=O)OCC
InChI=1SC20H23NO8c132719(25)10711(20(26)2842)912(810)2117(22)15135614(2913)16(15)18(23)24h791316H36H212H3(H2122)(H2324)
MFCD03233721
ZINC000137818446
ZINC000169295717
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