Vitas-M small molecule compound
6-[(2-bromophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK426069
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)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 C16H18BrNO3 MW 352.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrNO3/c1-9-7-11(12(16(20)21)8-10(9)2)15(19)18-14-6-4-3-5-13(14)17/h3-6,11-12H,7-8H2,1-2H3,(H,18,19)(H,20,21)InChIKey
GHBCAJPWQIFSMU-UHFFFAOYSA-NSynonyms
6((2bromophenyl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(2BROMOPHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=CC=CC=C2Br)C(=O)O)C
InChI=1SC16H18BrNO3c19711(12(16(20)21)810(9)2)15(19)1814643513(14)17h361112H78H212H3(H1819)(H2021)
MFCD02608959
ZINC000002797311
ZINC000004651527
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