Vitas-M small molecule compound
5-{3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK076058
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)C)C=C1C(=O)NC(=S)NC1=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 C22H22N2O5S MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5S/c1-3-27-19-13-15(12-17-20(25)23-22(30)24-21(17)26)6-9-18(19)29-11-10-28-16-7-4-14(2)5-8-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,24,25,26,30)InChIKey
OFUMYDRAEQSMQA-UHFFFAOYSA-NSynonyms
5((3ETHOXY4(2(4METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3ETHOXY4(2(4METHYLPHENOXY)ETHOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCCOC3=CC=C(C=C3)C
CCOc1cc(ccc1OCCOc1ccc(cc1)C)C=C1C(=O)NC(=S)NC1=O
InChI=1SC22H22N2O5Sc1327191315(121720(25)2322(30)2421(17)26)6918(19)29111028167414(2)5816h491213H31011H212H3(H22324252630)
MFCD02017663
STK076058
ZINC000009659790
ZINC09659790
ZINC9659790
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