Vitas-M small molecule compound
5-{3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxybenzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK075733
SMILES CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccc(c(c1)C)C)Br
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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 C23H23BrN2O5S MW 519.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN2O5S/c1-4-29-19-12-15(10-17-21(27)25-23(32)26-22(17)28)11-18(24)20(19)31-8-7-30-16-6-5-13(2)14(3)9-16/h5-6,9-12H,4,7-8H2,1-3H3,(H2,25,26,27,28,32)InChIKey
HEKZRIXWCSZYDW-UHFFFAOYSA-NSynonyms
5((3BROMO4(2(34DIMETHYLPHENOXY)ETHOXY)5ETHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3BROMO4(2(34DIMETHYLPHENOXY)ETHOXY)5ETHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OCCOC3=CC(=C(C=C3)C)C
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccc(c(c1)C)C)Br
InChI=1SC23H23BrN2O5Sc1429191215(101721(27)2523(32)2622(17)28)1118(24)20(19)318730166513(2)14(3)916h56912H478H213H3(H22526272832)
MFCD02017665
STK075733
ZINC000009659777
ZINC09659777
ZINC9659777
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