Vitas-M small molecule compound
(5E)-5-(4-ethoxy-3-methoxybenzylidene)-1-(4-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191582
SMILES CCOc1ccc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)CC
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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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-4-14-6-9-16(10-7-14)24-21(26)17(20(25)23-22(24)29)12-15-8-11-18(28-5-2)19(13-15)27-3/h6-13H,4-5H2,1-3H3,(H,23,25,29)/b17-12+InChIKey
OJQXMOFSXIFCKV-SFQUDFHCSA-NSynonyms
(5E)5((4ETHOXY3METHOXYPHENYL)METHYLIDENE)1(4ETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4ETHOXY3METHOXYBENZYLIDENE)1(4ETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC)OC)C(=O)NC2=S
CCOc1ccc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)CC
InChI=1SC22H22N2O4Sc14146916(10714)2421(26)17(20(25)2322(24)29)121581118(2852)19(1315)273h613H45H213H3(H232529)b1712+
MFCD02194986
ZINC000001199280
ZINC01199280
ZINC1199280
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