Vitas-M small molecule compound
(5Z)-5-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-ethoxybenzylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK078353
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)C(CC)C)/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 C31H31ClN2O6 MW 563.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31ClN2O6/c1-4-20(3)22-7-13-25(14-8-22)39-16-17-40-27-15-6-21(19-28(27)38-5-2)18-26-29(35)33-31(37)34(30(26)36)24-11-9-23(32)10-12-24/h6-15,18-20H,4-5,16-17H2,1-3H3,(H,33,35,37)/b26-18-InChIKey
BABHYGUSQMILFP-ITYLOYPMSA-NSynonyms
(5Z)5((4(2(4butan2ylphenoxy)ethoxy)3ethoxyphenyl)methylidene)1(4chlorophenyl)13diazinane246trione
(5Z)5(4(2(4(BUTAN2YL)PHENOXY)ETHOXY)3ETHOXYBENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCC(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)OCC
CCOc1cc(ccc1OCCOc1ccc(cc1)C(CC)C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC31H31ClN2O6c1420(3)2271325(14822)391617402715621(1928(27)3852)182629(35)3331(37)34(30(26)36)2411923(32)101224h6151820H451617H213H3(H333537)b2618
MFCD05975961
STK078353
ZINC000097959043
ZINC000097959044
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