Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-{3-chloro-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK037779
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCCOc1ccc(cc1)C)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 C28H24BrClN2O6 MW 599.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24BrClN2O6/c1-3-36-24-16-18(15-23(30)25(24)38-13-12-37-21-10-4-17(2)5-11-21)14-22-26(33)31-28(35)32(27(22)34)20-8-6-19(29)7-9-20/h4-11,14-16H,3,12-13H2,1-2H3,(H,31,33,35)/b22-14-InChIKey
IWKRCZBBEQYGAH-HMAPJEAMSA-NSynonyms
(5Z)1(4bromophenyl)5((3chloro5ethoxy4(2(4methylphenoxy)ethoxy)phenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(3CHLORO5ETHOXY4(2(4METHYLPHENOXY)ETHOXY)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=C(C=C4)C
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCCOc1ccc(cc1)C)Cl
InChI=1SC28H24BrClN2O6c1336241618(1523(30)25(24)381312372110417(2)51121)142226(33)3128(35)32(27(22)34)208619(29)7920h4111416H31213H212H3(H313335)b2214
MFCD05976133
STK037779
ZINC000097958508
ZINC97958508
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