Vitas-M small molecule compound

(5Z)-5-{3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK019706
SMILES CCOc1cc(ccc1OCCOc1ccccc1OC)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC

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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 C29H28N2O8 MW 532.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O8/c1-4-37-26-18-19(9-14-25(26)39-16-15-38-24-8-6-5-7-23(24)36-3)17-22-27(32)30-29(34)31(28(22)33)20-10-12-21(35-2)13-11-20/h5-14,17-18H,4,15-16H2,1-3H3,(H,30,32,34)/b22-17-
InChIKey
IKPZLUBFSHKLDN-XLNRJJMWSA-N
Synonyms

(5Z)5((3ethoxy4(2(2methoxyphenoxy)ethoxy)phenyl)methylidene)1(4methoxyphenyl)13diazinane246trione
(5Z)5(3ETHOXY4(2(2METHOXYPHENOXY)ETHOXY)BENZYLIDENE)1(4METHOXYPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC)OCCOC4=CC=CC=C4OC
CCOc1cc(ccc1OCCOc1ccccc1OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC
InChI=1SC29H28N2O8c1437261819(91425(26)3916153824865723(24)363)172227(32)3029(34)31(28(22)33)20101221(352)131120h5141718H41516H213H3(H303234)b2217
MFCD01873551
STK019706
ZINC000100229033
ZINC100229033

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Available files

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