Vitas-M small molecule compound
5-[(4-bromo-2-fluorophenyl)amino]-3-methyl-5-oxopentanoic acid
Catalog ID
STK215330
SMILES CC(CC(=O)O)CC(=O)Nc1ccc(cc1F)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 C12H13BrFNO3 MW 318.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13BrFNO3/c1-7(5-12(17)18)4-11(16)15-10-3-2-8(13)6-9(10)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,18)InChIKey
DMQFGTGDGVCRPO-UHFFFAOYSA-NSynonyms
5((4BROMO2FLUOROPHENYL)AMINO)3METHYL5OXOPENTANOICACID
5(4bromo2fluoroanilino)3methyl5oxopentanoicacid
CC(CC(=O)NC1=C(C=C(C=C1)Br)F)CC(=O)O
InChI=1SC12H13BrFNO3c17(512(17)18)411(16)1510328(13)69(10)14h2367H45H21H3(H1516)(H1718)
MFCD06067363
ZINC000004784862
ZINC000004784866
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