Vitas-M small molecule compound

(5E)-1-(4-bromophenyl)-5-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK067641
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCCOc1cc(C)cc(c1)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/c1-16-10-17(2)12-21(11-16)37-8-9-38-25-23(30)14-18(15-24(25)36-3)13-22-26(33)31-28(35)32(27(22)34)20-6-4-19(29)5-7-20/h4-7,10-15H,8-9H2,1-3H3,(H,31,33,35)/b22-13+
InChIKey
RTZLFGQGBUKQMZ-LPYMAVHISA-N
Synonyms

(5E)1(4BROMOPHENYL)5((3CHLORO4(2(35DIMETHYLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4BROMOPHENYL)5(3CHLORO4(2(35DIMETHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC(=C1)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)OC)C
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCCOc1cc(C)cc(c1)C)Cl
InChI=1SC28H24BrClN2O6c1161017(2)1221(1116)3789382523(30)1418(1524(25)363)132226(33)3128(35)32(27(22)34)206419(29)5720h471015H89H213H3(H313335)b2213+
MFCD08051835
STK067641
ZINC000097958884
ZINC97958884

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Available files

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