Vitas-M small molecule compound
(5E)-5-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-1-cyclohexylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK213554
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)C2CCCCC2)cc(c1OCc1ccc(cc1)C)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 C26H27BrN2O5 MW 527.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27BrN2O5/c1-16-8-10-17(11-9-16)15-34-23-21(27)13-18(14-22(23)33-2)12-20-24(30)28-26(32)29(25(20)31)19-6-4-3-5-7-19/h8-14,19H,3-7,15H2,1-2H3,(H,28,30,32)/b20-12+InChIKey
MHOVQZPOSDYZLJ-UDWIEESQSA-NSynonyms
(5E)5((3BROMO5METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1CYCLOHEXYL13DIAZINANE246TRIONE
(5E)5(3BROMO5METHOXY4((4METHYLBENZYL)OXY)BENZYLIDENE)1CYCLOHEXYLPYRIMIDINE246(1H3H5H)TRIONE
CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4)OC
COc1cc(C=C2C(=O)NC(=O)N(C2=O)C2CCCCC2)cc(c1OCc1ccc(cc1)C)Br
InChI=1SC26H27BrN2O5c11681017(11916)15342321(27)1318(1422(23)332)122024(30)2826(32)29(25(20)31)196435719h81419H3715H212H3(H283032)b2012+
MFCD05821737
ZINC000097961735
ZINC97961735
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