Vitas-M small molecule compound
(5Z)-5-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK018128
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(Cl)c(c(c2)OC)OCCOc2ccccc2)/C1=O
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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 C27H23ClN2O7 MW 522.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O7/c1-34-19-10-8-18(9-11-19)30-26(32)21(25(31)29-27(30)33)14-17-15-22(28)24(23(16-17)35-2)37-13-12-36-20-6-4-3-5-7-20/h3-11,14-16H,12-13H2,1-2H3,(H,29,31,33)/b21-14-InChIKey
KXACPVRKLNSYIH-STZFKDTASA-NSynonyms
(5Z)5((3CHLORO5METHOXY4(2PHENOXYETHOXY)PHENYL)METHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
(5Z)5(3CHLORO5METHOXY4(2PHENOXYETHOXY)BENZYLIDENE)1(4METHOXYPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCCOC4=CC=CC=C4)OC)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Cl)c(c(c2)OC)OCCOc2ccccc2)C1=O
InChI=1SC27H23ClN2O7c1341910818(91119)3026(32)21(25(31)2927(30)33)14171522(28)24(23(1617)352)37131236206435720h3111416H1213H212H3(H293133)b2114
MFCD02017776
STK018128
ZINC000006645201
ZINC06645201
ZINC6645201
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