Vitas-M small molecule compound
3-[(2-bromophenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK281608
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)Nc1ccccc1Br
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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 C16H16BrNO3 MW 350.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrNO3/c17-11-3-1-2-4-12(11)18-15(19)13-9-5-7-10(8-6-9)14(13)16(20)21/h1-5,7,9-10,13-14H,6,8H2,(H,18,19)(H,20,21)InChIKey
OWHRNIIGKCPLHK-UHFFFAOYSA-NSynonyms
2((2bromophenyl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((2bromophenyl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
C1CC2C=CC1C(C2C(=O)O)C(=O)NC3=CC=CC=C3Br
InChI=1SC16H16BrNO3c1711312412(11)1815(19)1395710(869)14(13)16(20)21h1579101314H68H2(H1819)(H2021)
MFCD00731956
ZINC000104436558
ZINC000239173891
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