Vitas-M small molecule compound

4-[(4-bromophenyl)amino]-3-butanoyl-6-methyl-2H-pyran-2-one

Catalog ID
STK780066
SMILES CCCC(=O)c1c(Nc2ccc(cc2)Br)cc(oc1=O)C

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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/c1-3-4-14(19)15-13(9-10(2)21-16(15)20)18-12-7-5-11(17)6-8-12/h5-9,18H,3-4H2,1-2H3
InChIKey
MIWRWCGZXLBYGC-UHFFFAOYSA-N
Synonyms

2HPYRAN2ONE4((4BROMOPHENYL)AMINO)6METHYL3(1OXOBUTYL)
4((4bromophenyl)amino)3butanoyl6methyl2Hpyran2one
4((4BROMOPHENYL)AMINO)3BUTANOYL6METHYLPYRAN2ONE
4(4BROMOANILINO)3BUTANOYL6METHYLPYRAN2ONE
CCCC(=O)C1=C(C=C(OC1=O)C)NC2=CC=C(C=C2)Br
InChI=1SC16H16BrNO3c13414(19)1513(910(2)2116(15)20)18127511(17)6812h5918H34H212H3
MFCD00583417
ZINC000001430680
ZINC01430680
ZINC1430680

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.