Vitas-M small molecule compound

5-{4-[2-(2,4-dimethylphenoxy)ethoxy]-3-ethoxybenzylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK078021
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1C)C)C=C1C(=O)N(C)C(=O)N(C1=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 C25H28N2O6 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6/c1-6-31-22-15-18(14-19-23(28)26(4)25(30)27(5)24(19)29)8-10-21(22)33-12-11-32-20-9-7-16(2)13-17(20)3/h7-10,13-15H,6,11-12H2,1-5H3
InChIKey
MQKNNBMPIQUFFT-UHFFFAOYSA-N
Synonyms

5((4(2(24DIMETHYLPHENOXY)ETHOXY)3ETHOXYPHENYL)METHYLIDENE)13DIMETHYL13DIAZINANE246TRIONE
5(4(2(24DIMETHYLPHENOXY)ETHOXY)3ETHOXYBENZYLIDENE)13DIMETHYLPYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N(C2=O)C)C)OCCOC3=C(C=C(C=C3)C)C
CCOc1cc(ccc1OCCOc1ccc(cc1C)C)C=C1C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC25H28N2O6c1631221518(141923(28)26(4)25(30)27(5)24(19)29)81021(22)33121132209716(2)1317(20)3h7101315H61112H215H3
MFCD05975423
STK078021
ZINC000009659950
ZINC09659950
ZINC9659950

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Available files

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