Vitas-M small molecule compound
3-(phenylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STL387766
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)Nc1ccccc1
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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 C16H17NO3 MW 271.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO3/c18-15(17-12-4-2-1-3-5-12)13-10-6-8-11(9-7-10)14(13)16(19)20/h1-6,8,10-11,13-14H,7,9H2,(H,17,18)(H,19,20)InChIKey
SBAMBSLCKMLANG-UHFFFAOYSA-NSynonyms
2(phenylcarbamoyl)bicyclo(222)oct5ene3carboxylicacid
3(phenylcarbamoyl)bicyclo(222)oct5ene2carboxylicacid
C1CC2C=CC1C(C2C(=O)O)C(=O)NC3=CC=CC=C3
InChI=1SC16H17NO3c1815(17124213512)13106811(9710)14(13)16(19)20h16810111314H79H2(H1718)(H1920)
MFCD06066618
ZINC000104149678
ZINC000252448797
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