Vitas-M small molecule compound

5-benzylidene-2,2-bis(4-methylphenyl)-1,3-dioxane-4,6-dione

Catalog ID
STL320878
SMILES Cc1ccc(cc1)C1(OC(=O)/C(=C/c2ccccc2)/C(=O)O1)c1ccc(cc1)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 C25H20O4 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20O4/c1-17-8-12-20(13-9-17)25(21-14-10-18(2)11-15-21)28-23(26)22(24(27)29-25)16-19-6-4-3-5-7-19/h3-16H,1-2H3
InChIKey
YIKIJUKCTLXINX-UHFFFAOYSA-N
Synonyms
300392-12-5
300392125
5benzylidene22bis(4methylphenyl)13dioxane46dione
5benzylidene22diptolyl13dioxane46dione
CC1=CC=C(C=C1)C2(OC(=O)C(=CC3=CC=CC=C3)C(=O)O2)C4=CC=C(C=C4)C
Cc1ccc(cc1)C1(OC(=O)C(=Cc2ccccc2)C(=O)O1)c1ccc(cc1)C
InChI=1SC25H20O4c11781220(13917)25(21141018(2)111521)2823(26)22(24(27)2925)16196435719h316H12H3
MFCD01550494
ZINC000005540932
ZINC05540932
ZINC5540932

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Available files

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