Vitas-M small molecule compound
(5Z)-5-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK076437
SMILES C#CCOc1ccc(cc1OCC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C22H17FN2O4S MW 424.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN2O4S/c1-3-11-29-18-10-5-14(13-19(18)28-4-2)12-17-20(26)24-22(30)25(21(17)27)16-8-6-15(23)7-9-16/h1,5-10,12-13H,4,11H2,2H3,(H,24,26,30)/b17-12-InChIKey
JTEOZNJPLHJOLD-ATVHPVEESA-NSynonyms
(5Z)5((3ethoxy4prop2ynoxyphenyl)methylidene)1(4fluorophenyl)2sulfanylidene13diazinane46dione
(5Z)5(3ETHOXY4(PROP2YN1YLOXY)BENZYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C#CCOc1ccc(cc1OCC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)OCC#C
InChI=1SC22H17FN2O4Sc1311291810514(1319(18)2842)121720(26)2422(30)25(21(17)27)168615(23)7916h15101213H411H22H3(H242630)b1712
MFCD04596436
STK076437
ZINC000009259402
ZINC09259402
ZINC9259402
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