Vitas-M small molecule compound
(5Z)-5-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-(4-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190117
SMILES C=CCOc1c(Br)cc(cc1OCC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)Cl
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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 C22H18BrClN2O4S MW 521.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrClN2O4S/c1-3-9-30-19-17(23)11-13(12-18(19)29-4-2)10-16-20(27)25-22(31)26(21(16)28)15-7-5-14(24)6-8-15/h3,5-8,10-12H,1,4,9H2,2H3,(H,25,27,31)/b16-10-InChIKey
NPIISLQDODGFIM-YBEGLDIGSA-NSynonyms
(5Z)5((3BROMO5ETHOXY4PROP2ENOXYPHENYL)METHYLIDENE)1(4CHLOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3BROMO5ETHOXY4(PROP2EN1YLOXY)BENZYLIDENE)1(4CHLOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCOc1c(Br)cc(cc1OCC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Cl
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCC=C
InChI=1SC22H18BrClN2O4Sc139301917(23)1113(1218(19)2942)101620(27)2522(31)26(21(16)28)157514(24)6815h3581012H149H22H3(H252731)b1610
MFCD03729538
ZINC000097960967
ZINC97960967
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