Vitas-M small molecule compound
(5E)-1-(2,4-dichlorophenyl)-5-[4-(diethylamino)-2-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL367396
SMILES COc1cc(ccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1Cl)Cl)N(CC)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 C22H21Cl2N3O3S MW 478.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2N3O3S/c1-4-26(5-2)15-8-6-13(19(12-15)30-3)10-16-20(28)25-22(31)27(21(16)29)18-9-7-14(23)11-17(18)24/h6-12H,4-5H2,1-3H3,(H,25,28,31)/b16-10+InChIKey
KYIZLTONLNUXJY-MHWRWJLKSA-NSynonyms
(5E)1(24dichlorophenyl)5((4(diethylamino)2methoxyphenyl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(24dichlorophenyl)5(4(diethylamino)2methoxybenzylidene)2thioxodihydropyrimidine46(1H5H)dione
CCN(CC)C1=CC(=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)OC
COc1cc(ccc1C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1Cl)Cl)N(CC)CC
InChI=1SC22H21Cl2N3O3Sc1426(52)158613(19(1215)303)101620(28)2522(31)27(21(16)29)189714(23)1117(18)24h612H45H213H3(H252831)b1610+
MFCD28951790
ZINC000098086266
ZINC98086266
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