Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-{3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-ethoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK098029
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCCOc1ccc(cc1)C1CCCCC1)Cl
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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 C33H32BrClN2O6 MW 667.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32BrClN2O6/c1-2-41-29-20-21(18-27-31(38)36-33(40)37(32(27)39)25-12-10-24(34)11-13-25)19-28(35)30(29)43-17-16-42-26-14-8-23(9-15-26)22-6-4-3-5-7-22/h8-15,18-20,22H,2-7,16-17H2,1H3,(H,36,38,40)/b27-18-InChIKey
JGUCCYOHRFYYGI-IMRQLAEWSA-NSynonyms
(5Z)1(4bromophenyl)5((3chloro4(2(4cyclohexylphenoxy)ethoxy)5ethoxyphenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(3CHLORO4(2(4CYCLOHEXYLPHENOXY)ETHOXY)5ETHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)Cl)OCCOC4=CC=C(C=C4)C5CCCCC5
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCCOc1ccc(cc1)C1CCCCC1)Cl
InChI=1SC33H32BrClN2O6c1241292021(182731(38)3633(40)37(32(27)39)25121024(34)111325)1928(35)30(29)431716422614823(91526)226435722h815182022H271617H21H3(H363840)b2718
MFCD05976138
STK098029
ZINC000097959447
ZINC97959447
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