Vitas-M small molecule compound
(5Z)-5-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192568
SMILES C=CCOc1c(Br)cc(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)OC
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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 C22H19BrN2O5S MW 503.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O5S/c1-4-9-30-19-17(23)11-13(12-18(19)29-3)10-16-20(26)24-22(31)25(21(16)27)14-5-7-15(28-2)8-6-14/h4-8,10-12H,1,9H2,2-3H3,(H,24,26,31)/b16-10-InChIKey
MSEXAXPXJNZBRF-YBEGLDIGSA-NSynonyms
(5Z)5((3BROMO5METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3BROMO5METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCOc1c(Br)cc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)OC
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC=C)OC)C(=O)NC2=S
InChI=1SC22H19BrN2O5Sc149301917(23)1113(1218(19)293)101620(26)2422(31)25(21(16)27)145715(282)8614h481012H19H223H3(H242631)b1610
MFCD02623721
ZINC000006645194
ZINC06645194
ZINC6645194
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