Vitas-M small molecule compound
(5Z)-5-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
Catalog ID
STK559435
SMILES COc1cc(/C=C\2/C(=NC(=O)N(C2=O)c2ccccc2)O)cc(c1OCc1cccc2c1cccc2)Br
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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 C29H21BrN2O5 MW 557.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21BrN2O5/c1-36-25-16-18(14-23-27(33)31-29(35)32(28(23)34)21-11-3-2-4-12-21)15-24(30)26(25)37-17-20-10-7-9-19-8-5-6-13-22(19)20/h2-16H,17H2,1H3,(H,31,33,35)/b23-14-InChIKey
ULFMALKAWHMFMA-UCQKPKSFSA-NSynonyms
(5Z)5((3BROMO5METHOXY4(NAPHTHALEN1YLMETHOXY)PHENYL)METHYLIDENE)1PHENYL13DIAZINANE246TRIONE
(5Z)5(3bromo5methoxy4(naphthalen1ylmethoxy)benzylidene)6hydroxy3phenylpyrimidine24(3H5H)dione
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)Br)OCC4=CC=CC5=CC=CC=C54
COc1cc(C=C2C(=NC(=O)N(C2=O)c2ccccc2)O)cc(c1OCc1cccc2c1cccc2)Br
InChI=1SC29H21BrN2O5c136251618(142327(33)3129(35)32(28(23)34)21113241221)1524(30)26(25)3717201079198561322(19)20h216H17H21H3(H313335)b2314
MFCD04079957
ZINC000097965011
ZINC97965011
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