Vitas-M small molecule compound
(5E)-5-{3-[2-(3-ethyl-5-methylphenoxy)ethoxy]benzylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK085063
SMILES CCc1cc(OCCOc2cccc(c2)/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/c1-4-21-14-20(3)15-25(16-21)36-13-12-35-24-7-5-6-22(17-24)18-26-27(32)30-29(34)31(28(26)33)23-10-8-19(2)9-11-23/h5-11,14-18H,4,12-13H2,1-3H3,(H,30,32,34)/b26-18+InChIKey
CMSOAKMWAYQXNX-NLRVBDNBSA-NSynonyms
(5E)5((3(2(3ETHYL5METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
(5E)5(3(2(3ETHYL5METHYLPHENOXY)ETHOXY)BENZYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCC1=CC(=CC(=C1)C)OCCOC2=CC=CC(=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)C
CCc1cc(OCCOc2cccc(c2)C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1)C
InChI=1SC29H28N2O5c14211420(3)1525(1621)361312352475622(1724)182627(32)3029(34)31(28(26)33)2310819(2)91123h5111418H41213H213H3(H303234)b2618+
MFCD08672650
STK085063
ZINC000009679158
ZINC09679158
ZINC9679158
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