Vitas-M small molecule compound
6-[(3-bromophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK426251
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)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 C16H18BrNO3 MW 352.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrNO3/c1-9-6-13(14(16(20)21)7-10(9)2)15(19)18-12-5-3-4-11(17)8-12/h3-5,8,13-14H,6-7H2,1-2H3,(H,18,19)(H,20,21)InChIKey
MKGJJHCGSSYNHZ-UHFFFAOYSA-NSynonyms
6((3bromophenyl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(3BROMOPHENYL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=CC(=CC=C2)Br)C(=O)O)C
InChI=1SC16H18BrNO3c19613(14(16(20)21)710(9)2)15(19)181253411(17)812h3581314H67H212H3(H1819)(H2021)
MFCD02609471
ZINC000002801791
ZINC000002801794
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