Vitas-M small molecule compound
2-(4-bromophenyl)-2-oxoethyl 4-hexylbenzoate
Catalog ID
STK085173
SMILES CCCCCCc1ccc(cc1)C(=O)OCC(=O)c1ccc(cc1)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 C21H23BrO3 MW 403.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrO3/c1-2-3-4-5-6-16-7-9-18(10-8-16)21(24)25-15-20(23)17-11-13-19(22)14-12-17/h7-14H,2-6,15H2,1H3InChIKey
STSKXBQUXCIUNH-UHFFFAOYSA-NSynonyms
(2(4BROMOPHENYL)2OXOETHYL)4HEXYLBENZOATE
2(4BROMOPHENYL)2OXOETHYL4HEXYLBENZOATE
CCCCCCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br
CCCCCCc1ccc(cc1)C(=O)OCC(=O)c1ccc(cc1)Br
InChI=1SC21H23BrO3c123456167918(10816)21(24)251520(23)17111319(22)141217h714H2615H21H3
MFCD00378893
STK085173
ZINC000004672677
ZINC04672677
ZINC4672677
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