Vitas-M small molecule compound

3-[(4-methoxybenzyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Catalog ID
STK419540
SMILES COc1ccc(cc1)CNC(=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 C16H19NO5 MW 305.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO5/c1-21-10-4-2-9(3-5-10)8-17-15(18)13-11-6-7-12(22-11)14(13)16(19)20/h2-5,11-14H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKey
DFIXDJRGFPYTRF-UHFFFAOYSA-N
Synonyms

2((4METHOXYPHENYL)METHYLCARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((4methoxybenzyl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N((4METHOXYPHENYL)METHYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
COC1=CC=C(C=C1)CNC(=O)C2C3CCC(C2C(=O)O)O3
InChI=1SC16H19NO5c12110429(3510)81715(18)13116712(2211)14(13)16(19)20h251114H68H21H3(H1718)(H1920)
MFCD01923749
ZINC000136526895
ZINC000137719936

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.