Vitas-M small molecule compound
(5E)-1-(4-bromophenyl)-5-(4-{2-[2-(butan-2-yl)phenoxy]ethoxy}benzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK096159
SMILES CCC(c1ccccc1OCCOc1ccc(cc1)/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 C29H27BrN2O5 MW 563.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN2O5/c1-3-19(2)24-6-4-5-7-26(24)37-17-16-36-23-14-8-20(9-15-23)18-25-27(33)31-29(35)32(28(25)34)22-12-10-21(30)11-13-22/h4-15,18-19H,3,16-17H2,1-2H3,(H,31,33,35)/b25-18+InChIKey
BBWFOUSHEQSFDQ-XIEYBQDHSA-NSynonyms
(5E)1(4BROMOPHENYL)5((4(2(2BUTAN2YLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4BROMOPHENYL)5(4(2(2(BUTAN2YL)PHENOXY)ETHOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCC(C)C1=CC=CC=C1OCCOC2=CC=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br
CCC(c1ccccc1OCCOc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)C
InChI=1SC29H27BrN2O5c1319(2)24645726(24)371716362314820(91523)182527(33)3129(35)32(28(25)34)22121021(30)111322h4151819H31617H212H3(H313335)b2518+
MFCD08672769
STK096159
ZINC000097959412
ZINC000097959413
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