Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-{4-[2-(4-cyclohexylphenoxy)ethoxy]-3-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK050304
SMILES COc1cc(ccc1OCCOc1ccc(cc1)C1CCCCC1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C32H31BrN2O6 MW 619.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31BrN2O6/c1-39-29-20-21(19-27-30(36)34-32(38)35(31(27)37)25-12-10-24(33)11-13-25)7-16-28(29)41-18-17-40-26-14-8-23(9-15-26)22-5-3-2-4-6-22/h7-16,19-20,22H,2-6,17-18H2,1H3,(H,34,36,38)/b27-19-InChIKey
WDQHLGLAYPZSQL-DIBXZPPDSA-NSynonyms
(5Z)1(4bromophenyl)5((4(2(4cyclohexylphenoxy)ethoxy)3methoxyphenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(4(2(4CYCLOHEXYLPHENOXY)ETHOXY)3METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OCCOC4=CC=C(C=C4)C5CCCCC5
COc1cc(ccc1OCCOc1ccc(cc1)C1CCCCC1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
InChI=1SC32H31BrN2O6c139292021(192730(36)3432(38)35(31(27)37)25121024(33)111325)71628(29)411817402614823(91526)225324622h716192022H261718H21H3(H343638)b2719
MFCD05976089
STK050304
ZINC000097958659
ZINC97958659
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