Vitas-M small molecule compound
(5E)-1-(4-bromophenyl)-5-{1-[(2-methoxybenzyl)amino]ethylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL447318
SMILES COc1ccccc1CN/C(=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)/C
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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 C20H18BrN3O4 MW 444.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O4/c1-12(22-11-13-5-3-4-6-16(13)28-2)17-18(25)23-20(27)24(19(17)26)15-9-7-14(21)8-10-15/h3-10,22H,11H2,1-2H3,(H,23,25,27)/b17-12+InChIKey
BUYUMCKZCJVNMF-SFQUDFHCSA-NSynonyms
(5E)1(4bromophenyl)5(1((2methoxybenzyl)amino)ethylidene)pyrimidine246(1H3H5H)trione
(5E)1(4bromophenyl)5(1((2methoxyphenyl)methylamino)ethylidene)13diazinane246trione
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Br)NCC3=CC=CC=C3OC
COc1ccccc1CNC(=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)C
InChI=1SC20H18BrN3O4c112(221113534616(13)282)1718(25)2320(27)24(19(17)26)159714(21)81015h31022H11H212H3(H232527)b1712+
MFCD06243624
ZINC000001407436
ZINC1407436
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