Vitas-M small molecule compound
(5Z)-5-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]benzylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK016347
SMILES CCc1cc(OCCOc2ccc(cc2)/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1)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 C29H28N2O5 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5/c1-4-21-15-20(3)16-25(17-21)36-14-13-35-24-11-7-22(8-12-24)18-26-27(32)30-29(34)31(28(26)33)23-9-5-19(2)6-10-23/h5-12,15-18H,4,13-14H2,1-3H3,(H,30,32,34)/b26-18-InChIKey
COCXREOLXAXLMZ-ITYLOYPMSA-NSynonyms
(5Z)5((4(2(3ethyl5methylphenoxy)ethoxy)phenyl)methylidene)1(4methylphenyl)13diazinane246trione
(5Z)5(4(2(3ETHYL5METHYLPHENOXY)ETHOXY)BENZYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCC1=CC(=CC(=C1)C)OCCOC2=CC=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)C
CCc1cc(OCCOc2ccc(cc2)C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1)C
InChI=1SC29H28N2O5c14211520(3)1625(1721)361413352411722(81224)182627(32)3029(34)31(28(26)33)239519(2)61023h5121518H41314H213H3(H303234)b2618
MFCD02017577
STK016347
ZINC000013940169
ZINC13940169
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