Vitas-M small molecule compound
(5E)-1-(3,5-dichlorophenyl)-5-[4-(1,3-dihydro-2H-isoindol-2-yl)-2-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368126
SMILES COc1cc(ccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(Cl)cc(c1)Cl)N1Cc2c(C1)cccc2
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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 C26H19Cl2N3O3S MW 524.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19Cl2N3O3S/c1-34-23-12-20(30-13-16-4-2-3-5-17(16)14-30)7-6-15(23)8-22-24(32)29-26(35)31(25(22)33)21-10-18(27)9-19(28)11-21/h2-12H,13-14H2,1H3,(H,29,32,35)/b22-8+InChIKey
GAGPGYWQNVINQG-GZIVZEMBSA-NSynonyms
(5E)1(35dichlorophenyl)5((4(13dihydroisoindol2yl)2methoxyphenyl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(35dichlorophenyl)5(4(13dihydro2Hisoindol2yl)2methoxybenzylidene)2thioxodihydropyrimidine46(1H5H)dione
COC1=C(C=CC(=C1)N2CC3=CC=CC=C3C2)C=C4C(=O)NC(=S)N(C4=O)C5=CC(=CC(=C5)Cl)Cl
COc1cc(ccc1C=C1C(=O)NC(=S)N(C1=O)c1cc(Cl)cc(c1)Cl)N1Cc2c(C1)cccc2
InChI=1SC26H19Cl2N3O3Sc134231220(301316423517(16)1430)7615(23)82224(32)2926(35)31(25(22)33)211018(27)919(28)1121h212H1314H21H3(H293235)b228+
MFCD28952047
ZINC000103555400
ZINC103555400
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