Vitas-M small molecule compound

benzene-1,3-diyl bis(4-butylbenzoate)

Catalog ID
STK753332
SMILES CCCCc1ccc(cc1)C(=O)Oc1cccc(c1)OC(=O)c1ccc(cc1)CCCC

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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 C28H30O4 MW 430.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30O4/c1-3-5-8-21-12-16-23(17-13-21)27(29)31-25-10-7-11-26(20-25)32-28(30)24-18-14-22(15-19-24)9-6-4-2/h7,10-20H,3-6,8-9H2,1-2H3
InChIKey
FYWBVAQVYNHLQX-UHFFFAOYSA-N
Synonyms
(3(4BUTYLBENZOYL)OXYPHENYL)4BUTYLBENZOATE
3(4BUTYLPHENYLCARBONYLOXY)PHENYL4BUTYLBENZOATE
benzene13diylbis(4butylbenzoate)
CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)CCCC
Registry IDs
MFCD00823443
ZINC000003115885
ZINC03115885
ZINC3115885

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Available files

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