Vitas-M small molecule compound

(5E)-1-(4-chlorophenyl)-5-{4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK010354
SMILES COc1cc(ccc1OCCOc1cc(C)ccc1C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl

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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 C28H25ClN2O6 MW 520.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O6/c1-17-4-5-18(2)24(14-17)37-13-12-36-23-11-6-19(16-25(23)35-3)15-22-26(32)30-28(34)31(27(22)33)21-9-7-20(29)8-10-21/h4-11,14-16H,12-13H2,1-3H3,(H,30,32,34)/b22-15+
InChIKey
KDSKNERKOVMFGP-PXLXIMEGSA-N
Synonyms

(5E)1(4CHLOROPHENYL)5((4(2(25DIMETHYLPHENOXY)ETHOXY)3METHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4CHLOROPHENYL)5(4(2(25DIMETHYLPHENOXY)ETHOXY)3METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=C(C=C1)C)OCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)OC
COc1cc(ccc1OCCOc1cc(C)ccc1C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC28H25ClN2O6c1174518(2)24(1417)371312362311619(1625(23)353)152226(32)3028(34)31(27(22)33)219720(29)81021h4111416H1213H213H3(H303234)b2215+
MFCD08049367
STK010354
ZINC000008959112
ZINC08959112
ZINC8959112

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Available files

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