Vitas-M small molecule compound

(5Z)-1-(4-bromophenyl)-5-[3-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK046210
SMILES COc1cc(ccc1OCc1cccc2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)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/c1-36-26-16-18(9-14-25(26)37-17-20-7-4-6-19-5-2-3-8-23(19)20)15-24-27(33)31-29(35)32(28(24)34)22-12-10-21(30)11-13-22/h2-16H,17H2,1H3,(H,31,33,35)/b24-15-
InChIKey
LMWBVHOZZGIHDN-IWIPYMOSSA-N
Synonyms

(5Z)1(4bromophenyl)5((3methoxy4(naphthalen1ylmethoxy)phenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(3METHOXY4(NAPHTHALEN1YLMETHOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OCC4=CC=CC5=CC=CC=C54
COc1cc(ccc1OCc1cccc2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
InChI=1SC29H21BrN2O5c136261618(91425(26)37172074619523823(19)20)152427(33)3129(35)32(28(24)34)22121021(30)111322h216H17H21H3(H313335)b2415
MFCD04510655
STK046210
ZINC000097958616
ZINC97958616

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Available files

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