Vitas-M small molecule compound
(5E)-1-(3,5-dichlorophenyl)-5-[2-methoxy-4-(morpholin-4-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL372383
SMILES COc1cc(ccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(Cl)cc(c1)Cl)N1CCOCC1
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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 C22H19Cl2N3O4S MW 492.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl2N3O4S/c1-30-19-12-16(26-4-6-31-7-5-26)3-2-13(19)8-18-20(28)25-22(32)27(21(18)29)17-10-14(23)9-15(24)11-17/h2-3,8-12H,4-7H2,1H3,(H,25,28,32)/b18-8+InChIKey
OCXXTBYRBDTDBK-QGMBQPNBSA-NSynonyms
(5E)1(35dichlorophenyl)5((2methoxy4morpholin4ylphenyl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(35dichlorophenyl)5(2methoxy4(morpholin4yl)benzylidene)2thioxodihydropyrimidine46(1H5H)dione
COC1=C(C=CC(=C1)N2CCOCC2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC(=C4)Cl)Cl
COc1cc(ccc1C=C1C(=O)NC(=S)N(C1=O)c1cc(Cl)cc(c1)Cl)N1CCOCC1
InChI=1SC22H19Cl2N3O4Sc130191216(2646317526)3213(19)81820(28)2522(32)27(21(18)29)171014(23)915(24)1117h23812H47H21H3(H252832)b188+
MFCD28950934
ZINC000096234508
ZINC96234508
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