Vitas-M small molecule compound
3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK418984
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)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 C16H15NO6 MW 317.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO6/c18-15(13-10-3-4-11(23-10)14(13)16(19)20)17-8-1-2-9-12(7-8)22-6-5-21-9/h1-4,7,10-11,13-14H,5-6H2,(H,17,18)(H,19,20)InChIKey
CECJSNLAQXUWRR-UHFFFAOYSA-NSynonyms
2((23DIHYDRO14BENZODIOXIN6YLAMINO)OXOMETHYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
2(23DIHYDRO14BENZODIOXIN6YLCARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3(23dihydro14benzodioxin6ylcarbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
C1COC2=C(O1)C=CC(=C2)NC(=O)C3C4C=CC(C3C(=O)O)O4
InChI=1SC16H15NO6c1815(13103411(2310)14(13)16(19)20)17812912(78)2265219h14710111314H56H2(H1718)(H1920)
MFCD01192143
ZINC000169294320
ZINC000239030655
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