Vitas-M small molecule compound
(5Z)-5-[3,5-dibromo-4-(prop-2-yn-1-yloxy)benzylidene]-1-(3-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175191
SMILES C#CCOc1c(Br)cc(cc1Br)/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 C20H11Br2FN2O4 MW 522.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11Br2FN2O4/c1-2-6-29-17-15(21)8-11(9-16(17)22)7-14-18(26)24-20(28)25(19(14)27)13-5-3-4-12(23)10-13/h1,3-5,7-10H,6H2,(H,24,26,28)/b14-7-InChIKey
XMSMXNWSXIWYSX-AUWJEWJLSA-NSynonyms
(5Z)5((35dibromo4prop2ynoxyphenyl)methylidene)1(3fluorophenyl)13diazinane246trione
(5Z)5(35DIBROMO4(PROP2YN1YLOXY)BENZYLIDENE)1(3FLUOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
C#CCOC1=C(C=C(C=C1Br)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)F)Br
C#CCOc1c(Br)cc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)F
InChI=1SC20H11Br2FN2O4c126291715(21)811(916(17)22)71418(26)2420(28)25(19(14)27)1353412(23)1013h135710H6H2(H242628)b147
MFCD04528584
ZINC000097960597
ZINC97960597
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