Vitas-M small molecule compound
3-[(3-bromophenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STL387767
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)Nc1cccc(c1)Br
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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/c17-11-2-1-3-12(8-11)18-15(19)13-9-4-6-10(7-5-9)14(13)16(20)21/h1-4,6,8-10,13-14H,5,7H2,(H,18,19)(H,20,21)InChIKey
HTPGDXIXXPQVON-UHFFFAOYSA-NSynonyms
2((3bromophenyl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3bromophenyl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
C1CC2C=CC1C(C2C(=O)O)C(=O)NC3=CC(=CC=C3)Br
InChI=1SC16H16BrNO3c171121312(811)1815(19)1394610(759)14(13)16(20)21h1468101314H57H2(H1819)(H2021)
MFCD00733523
ZINC000105991593
ZINC000253369745
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