Vitas-M small molecule compound
(5E)-1-(4-bromo-2-methylphenyl)-5-[2-methyl-4-(morpholin-4-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK195555
SMILES Brc1ccc(c(c1)C)N1C(=S)NC(=O)/C(=C\c2ccc(cc2C)N2CCOCC2)/C1=O
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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 C23H22BrN3O3S MW 500.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3O3S/c1-14-12-18(26-7-9-30-10-8-26)5-3-16(14)13-19-21(28)25-23(31)27(22(19)29)20-6-4-17(24)11-15(20)2/h3-6,11-13H,7-10H2,1-2H3,(H,25,28,31)/b19-13+InChIKey
LYAMPKQTFHXUFF-CPNJWEJPSA-NSynonyms
(5E)1(4BROMO2METHYLPHENYL)5((2METHYL4MORPHOLIN4YLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4BROMO2METHYLPHENYL)5(2METHYL4(MORPHOLIN4YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
Brc1ccc(c(c1)C)N1C(=S)NC(=O)C(=Cc2ccc(cc2C)N2CCOCC2)C1=O
CC1=C(C=CC(=C1)N2CCOCC2)C=C3C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)Br)C
InChI=1SC23H22BrN3O3Sc1141218(26793010826)5316(14)131921(28)2523(31)27(22(19)29)206417(24)1115(20)2h361113H710H212H3(H252831)b1913+
MFCD03721565
ZINC000001132374
ZINC01132374
ZINC1132374
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