Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK064010
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCCOc1ccccc1)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 C27H22BrClN2O6 MW 585.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrClN2O6/c1-2-35-23-16-17(15-22(29)24(23)37-13-12-36-20-6-4-3-5-7-20)14-21-25(32)30-27(34)31(26(21)33)19-10-8-18(28)9-11-19/h3-11,14-16H,2,12-13H2,1H3,(H,30,32,34)/b21-14-InChIKey
MCQAPCDEHVPXEJ-STZFKDTASA-NSynonyms
(5Z)1(4bromophenyl)5((3chloro5ethoxy4(2phenoxyethoxy)phenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(3CHLORO5ETHOXY4(2PHENOXYETHOXY)BENZYLIDENE)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=CC=C4
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCCOc1ccccc1)Cl
InChI=1SC27H22BrClN2O6c1235231617(1522(29)24(23)37131236206435720)142125(32)3027(34)31(26(21)33)1910818(28)91119h3111416H21213H21H3(H303234)b2114
MFCD05976132
STK064010
ZINC000097958843
ZINC97958843
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