Vitas-M small molecule compound
(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170159
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc3OCOc3cc2Br)/C1=O
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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 C20H15BrN2O5 MW 443.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O5/c1-2-11-3-5-13(6-4-11)23-19(25)14(18(24)22-20(23)26)7-12-8-16-17(9-15(12)21)28-10-27-16/h3-9H,2,10H2,1H3,(H,22,24,26)/b14-7+InChIKey
RHMWGUWMALKDAZ-VGOFMYFVSA-NSynonyms
(5E)5((6BROMO13BENZODIOXOL5YL)METHYLIDENE)1(4ETHYLPHENYL)13DIAZINANE246TRIONE
(5E)5((6BROMO13BENZODIOXOL5YL)METHYLIDENE)1(4ETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3Br)OCO4)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc3OCOc3cc2Br)C1=O
InChI=1SC20H15BrN2O5c12113513(6411)2319(25)14(18(24)2220(23)26)71281617(915(12)21)28102716h39H210H21H3(H222426)b147+
MFCD03711678
ZINC000001162544
ZINC01162544
ZINC1162544
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