Vitas-M small molecule compound
(5E)-5-(3-bromo-5-ethoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK079552
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCOc1ccc(cc1OC)CC=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 C31H28BrClN2O7 MW 655.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrClN2O7/c1-4-6-19-7-12-25(26(17-19)39-3)41-13-14-42-28-24(32)16-20(18-27(28)40-5-2)15-23-29(36)34-31(38)35(30(23)37)22-10-8-21(33)9-11-22/h4,7-12,15-18H,1,5-6,13-14H2,2-3H3,(H,34,36,38)/b23-15+InChIKey
GHOINWGMSFAXDJ-HZHRSRAPSA-NSynonyms
(5E)5((3BROMO5ETHOXY4(2(2METHOXY4PROP2ENYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)1(4CHLOROPHENYL)13DIAZINANE246TRIONE
(5E)5(3BROMO5ETHOXY4(2(2METHOXY4(PROP2EN1YL)PHENOXY)ETHOXY)BENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCCOC4=C(C=C(C=C4)CC=C)OC
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCOc1ccc(cc1OC)CC=C)Br
InChI=1SC31H28BrClN2O7c1461971225(26(1719)393)411314422824(32)1620(1827(28)4052)152329(36)3431(38)35(30(23)37)2210821(33)91122h47121518H1561314H223H3(H343638)b2315+
MFCD08672748
STK079552
ZINC000097959060
ZINC97959060
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