Vitas-M small molecule compound
3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK479255
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)Nc1ccc2c(c1)OCCO2
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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 C18H21NO5 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5/c20-17(15-10-1-3-11(4-2-10)16(15)18(21)22)19-12-5-6-13-14(9-12)24-8-7-23-13/h5-6,9-11,15-16H,1-4,7-8H2,(H,19,20)(H,21,22)InChIKey
GELDDCZLWZAGHR-UHFFFAOYSA-NSynonyms
2(23DIHYDRO14BENZODIOXIN6YLCARBAMOYL)BICYCLO(222)OCTANE3CARBOXYLICACID
3(23dihydro14benzodioxin6ylcarbamoyl)bicyclo(222)octane2carboxylicacid
3(N(2H3HBENZO(34E)14DIOXAN6YL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CC2CCC1C(C2C(=O)O)C(=O)NC3=CC4=C(C=C3)OCCO4
InChI=1SC18H21NO5c2017(15101311(4210)16(15)18(21)22)1912561314(912)24872313h569111516H1478H2(H1920)(H2122)
MFCD06067564
ZINC000006725419
ZINC000006725422
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