Vitas-M small molecule compound

3-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Catalog ID
STK419821
SMILES O=C(C1C2CCC(C1C(=O)O)O2)NCc1ccc2c(c1)OCO2

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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 C16H17NO6 MW 319.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO6/c18-15(13-10-3-4-11(23-10)14(13)16(19)20)17-6-8-1-2-9-12(5-8)22-7-21-9/h1-2,5,10-11,13-14H,3-4,6-7H2,(H,17,18)(H,19,20)
InChIKey
XHVAQSUMCKGURD-UHFFFAOYSA-N
Synonyms
473446-72-9
2(13BENZODIOXOL5YLMETHYLCARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((13benzodioxol5ylmethyl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
473446729
C1CC2C(C(C1O2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O
InChI=1SC16H17NO6c1815(13103411(2310)14(13)16(19)20)176812912(58)227219h12510111314H3467H2(H1718)(H1920)
MFCD01922671
ZINC000226295741
ZINC000239433181

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Available files

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