Vitas-M small molecule compound
(5E)-5-[2-bromo-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187409
SMILES C=CCOc1cc(Br)c(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)CC=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 C18H17BrN2O4S MW 437.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN2O4S/c1-4-6-21-17(23)12(16(22)20-18(21)26)8-11-9-14(24-3)15(10-13(11)19)25-7-5-2/h4-5,8-10H,1-2,6-7H2,3H3,(H,20,22,26)/b12-8+InChIKey
TXMITJIXZIMBOC-XYOKQWHBSA-NSynonyms
(5E)5((2BROMO5METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(2BROMO5METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCOc1cc(Br)c(cc1OC)C=C1C(=O)NC(=S)N(C1=O)CC=C
COC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)Br)OCC=C
InChI=1SC18H17BrN2O4Sc1462117(23)12(16(22)2018(21)26)811914(243)15(1013(11)19)25752h45810H1267H23H3(H202226)b128+
MFCD03707282
ZINC000002996346
ZINC02996346
ZINC2996346
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