Vitas-M small molecule compound

4-acetyl-5-(4-bromophenyl)-1-butyl-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STK999100
SMILES CCCCN1C(c2ccc(cc2)Br)C(=C(C1=O)O)C(=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 C16H18BrNO3 MW 352.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrNO3/c1-3-4-9-18-14(11-5-7-12(17)8-6-11)13(10(2)19)15(20)16(18)21/h5-8,14,20H,3-4,9H2,1-2H3
InChIKey
GBOXZFUELGXKBG-UHFFFAOYSA-N
Synonyms
425613-84-9
3ACETYL2(4BROMOPHENYL)1BUTYL4HYDROXY2HPYRROL5ONE
425613849
4acetyl5(4bromophenyl)1butyl3hydroxy15dihydro2Hpyrrol2one
4acetyl5(4bromophenyl)1butyl3hydroxy1Hpyrrol2(5H)one
CCCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)Br
InChI=1SC16H18BrNO3c13491814(115712(17)8611)13(10(2)19)15(20)16(18)21h581420H349H212H3
MFCD02158259
ZINC000004937927
ZINC000008468868

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Available files

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