Vitas-M small molecule compound
(5E)-1-(3,5-dimethylphenyl)-5-[4-ethoxy-2-methyl-5-(propan-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190193
SMILES CCOc1cc(C)c(cc1C(C)C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C
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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 C25H28N2O3S MW 436.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O3S/c1-7-30-22-11-17(6)18(12-20(22)14(2)3)13-21-23(28)26-25(31)27(24(21)29)19-9-15(4)8-16(5)10-19/h8-14H,7H2,1-6H3,(H,26,28,31)/b21-13+InChIKey
MGEOMSKIRNRPFF-FYJGNVAPSA-NSynonyms
(5E)1(35DIMETHYLPHENYL)5((4ETHOXY2METHYL5PROPAN2YLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(35DIMETHYLPHENYL)5(4ETHOXY2METHYL5(PROPAN2YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=C(C(=C1)C)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC(=C3)C)C)C(C)C
CCOc1cc(C)c(cc1C(C)C)C=C1C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC25H28N2O3Sc1730221117(6)18(1220(22)14(2)3)132123(28)2625(31)27(24(21)29)19915(4)816(5)1019h814H7H216H3(H262831)b2113+
MFCD03712215
ZINC000003005344
ZINC03005344
ZINC3005344
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