Vitas-M small molecule compound
(5E)-1-(4-bromophenyl)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197628
SMILES CCOc1ccc2c(c1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br)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 C23H17BrN2O3S MW 481.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN2O3S/c1-2-29-20-12-7-14-5-3-4-6-17(14)18(20)13-19-21(27)25-23(30)26(22(19)28)16-10-8-15(24)9-11-16/h3-13H,2H2,1H3,(H,25,27,30)/b19-13+InChIKey
NMPBZOVYNFAYDU-CPNJWEJPSA-NSynonyms
(5E)1(4BROMOPHENYL)5((2ETHOXYNAPHTHALEN1YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4BROMOPHENYL)5((2ETHOXYNAPHTHALEN1YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br
CCOc1ccc2c(c1C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br)cccc2
InChI=1SC23H17BrN2O3Sc12292012714534617(14)18(20)131921(27)2523(30)26(22(19)28)1610815(24)91116h313H2H21H3(H252730)b1913+
MFCD06666543
ZINC000000665116
ZINC00665116
ZINC665116
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