Vitas-M small molecule compound
(5Z)-5-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1-(3-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK021331
SMILES C#CCOc1ccc(cc1OCC)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)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 C22H17FN2O5 MW 408.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN2O5/c1-3-10-30-18-9-8-14(12-19(18)29-4-2)11-17-20(26)24-22(28)25(21(17)27)16-7-5-6-15(23)13-16/h1,5-9,11-13H,4,10H2,2H3,(H,24,26,28)/b17-11-InChIKey
MMSRSTWEVWPCFH-BOPFTXTBSA-NSynonyms
(5Z)5((3ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)1(3FLUOROPHENYL)13DIAZINANE246TRIONE
(5Z)5(3ETHOXY4(PROP2YN1YLOXY)BENZYLIDENE)1(3FLUOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
C#CCOc1ccc(cc1OCC)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)F
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)F)OCC#C
InChI=1SC22H17FN2O5c131030189814(1219(18)2942)111720(26)2422(28)25(21(17)27)1675615(23)1316h1591113H410H22H3(H242628)b1711
MFCD03226757
STK021331
ZINC000004590464
ZINC04590464
ZINC4590464
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