Vitas-M small molecule compound
(5Z)-5-(2-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-chlorobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK055740
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(cc2)C(CC)C)/C1=O
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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 C30H29ClN2O6 MW 549.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClN2O6/c1-4-19(2)20-5-10-25(11-6-20)38-15-16-39-27-14-7-22(31)17-21(27)18-26-28(34)32-30(36)33(29(26)35)23-8-12-24(37-3)13-9-23/h5-14,17-19H,4,15-16H2,1-3H3,(H,32,34,36)/b26-18-InChIKey
ONMCDFGJGUFPCU-ITYLOYPMSA-NSynonyms
(5Z)5((2(2(4butan2ylphenoxy)ethoxy)5chlorophenyl)methylidene)1(4methoxyphenyl)13diazinane246trione
(5Z)5(2(2(4(BUTAN2YL)PHENOXY)ETHOXY)5CHLOROBENZYLIDENE)1(4METHOXYPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCC(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)Cl)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2OCCOc2ccc(cc2)C(CC)C)C1=O
InChI=1SC30H29ClN2O6c1419(2)2051025(11620)381516392714722(31)1721(27)182628(34)3230(36)33(29(26)35)2381224(373)13923h5141719H41516H213H3(H323436)b2618
MFCD03183865
STK055740
ZINC000097958735
ZINC000097958736
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