Vitas-M small molecule compound
(5Z)-5-{4-[3-(4-chlorophenoxy)propoxy]-3-methoxybenzylidene}-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK050618
SMILES COc1cc(ccc1OCCCOc1ccc(cc1)Cl)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C27H22Cl2N2O6 MW 541.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl2N2O6/c1-35-24-16-17(3-12-23(24)37-14-2-13-36-21-10-6-19(29)7-11-21)15-22-25(32)30-27(34)31(26(22)33)20-8-4-18(28)5-9-20/h3-12,15-16H,2,13-14H2,1H3,(H,30,32,34)/b22-15-InChIKey
CKSJWSYJQUVSST-JCMHNJIXSA-NSynonyms
(5Z)5((4(3(4chlorophenoxy)propoxy)3methoxyphenyl)methylidene)1(4chlorophenyl)13diazinane246trione
(5Z)5(4(3(4CHLOROPHENOXY)PROPOXY)3METHOXYBENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)OCCCOC4=CC=C(C=C4)Cl
COc1cc(ccc1OCCCOc1ccc(cc1)Cl)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC27H22Cl2N2O6c135241617(31223(24)3714213362110619(29)71121)152225(32)3027(34)31(26(22)33)208418(28)5920h3121516H21314H21H3(H303234)b2215
MFCD05975958
STK050618
ZINC000097958668
ZINC97958668
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