Vitas-M small molecule compound
(5E)-5-[2-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190024
SMILES C#CCOc1cc(Br)c(cc1OCC)/C=C/1\C(=O)NC(=S)N(C1=O)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 C17H15BrN2O4S MW 423.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15BrN2O4S/c1-4-6-24-14-9-12(18)10(8-13(14)23-5-2)7-11-15(21)19-17(25)20(3)16(11)22/h1,7-9H,5-6H2,2-3H3,(H,19,21,25)/b11-7+InChIKey
DESBYCOZUCGUDF-YRNVUSSQSA-NSynonyms
(5E)5((2BROMO5ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(2BROMO5ETHOXY4(PROP2YN1YLOXY)BENZYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5(2BROMO5ETHOXY4(2PROPYNYLOXY)BENZYLIDENE)1METHYL2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
C#CCOc1cc(Br)c(cc1OCC)C=C1C(=O)NC(=S)N(C1=O)C
CCOC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)N(C2=O)C)Br)OCC#C
InChI=1SC17H15BrN2O4Sc1462414912(18)10(813(14)2352)71115(21)1917(25)20(3)16(11)22h179H56H223H3(H192125)b117+
MFCD03226938
ZINC000002080436
ZINC02080436
ZINC2080436
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