Vitas-M small molecule compound
(5Z)-5-[3-bromo-4-(prop-2-yn-1-yloxy)benzylidene]-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187928
SMILES C#CCOc1ccc(cc1Br)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)OCC
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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 C22H17BrN2O4S MW 485.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN2O4S/c1-3-11-29-19-10-5-14(13-18(19)23)12-17-20(26)24-22(30)25(21(17)27)15-6-8-16(9-7-15)28-4-2/h1,5-10,12-13H,4,11H2,2H3,(H,24,26,30)/b17-12-InChIKey
LGHNIIIGIMEQHH-ATVHPVEESA-NSynonyms
(5Z)5((3BROMO4PROP2YNOXYPHENYL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3BROMO4(PROP2YN1YLOXY)BENZYLIDENE)1(4ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C#CCOc1ccc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)OCC
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)Br)C(=O)NC2=S
InChI=1SC22H17BrN2O4Sc1311291910514(1318(19)23)121720(26)2422(30)25(21(17)27)156816(9715)2842h15101213H411H22H3(H242630)b1712
MFCD02629132
ZINC000006508314
ZINC06508314
ZINC6508314
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