Vitas-M small molecule compound
(5E)-1-(4-chloro-3-methylphenyl)-5-[2-methoxy-4-(morpholin-4-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL367766
SMILES COc1cc(ccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)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 C23H22ClN3O4S MW 471.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O4S/c1-14-11-17(5-6-19(14)24)27-22(29)18(21(28)25-23(27)32)12-15-3-4-16(13-20(15)30-2)26-7-9-31-10-8-26/h3-6,11-13H,7-10H2,1-2H3,(H,25,28,32)/b18-12+InChIKey
SJQMADRRDHYORY-LDADJPATSA-NSynonyms
(5E)1(4chloro3methylphenyl)5((2methoxy4morpholin4ylphenyl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(4chloro3methylphenyl)5(2methoxy4(morpholin4yl)benzylidene)2thioxodihydropyrimidine46(1H5H)dione
CC1=C(C=CC(=C1)N2C(=O)C(=CC3=C(C=C(C=C3)N4CCOCC4)OC)C(=O)NC2=S)Cl
COc1cc(ccc1C=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)Cl)N1CCOCC1
InChI=1SC23H22ClN3O4Sc1141117(5619(14)24)2722(29)18(21(28)2523(27)32)12153416(1320(15)302)26793110826h361113H710H212H3(H252832)b1812+
MFCD28951908
ZINC000096234509
ZINC96234509
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