Vitas-M small molecule compound
(5Z)-5-{4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-methoxybenzylidene}-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK090952
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCOc1ccc(cc1)Br)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 C26H19BrCl2N2O6 MW 606.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrCl2N2O6/c1-35-22-14-15(13-21(29)23(22)37-11-10-36-19-8-2-16(27)3-9-19)12-20-24(32)30-26(34)31(25(20)33)18-6-4-17(28)5-7-18/h2-9,12-14H,10-11H2,1H3,(H,30,32,34)/b20-12-InChIKey
BEUZANHHGIOSHW-NDENLUEZSA-NSynonyms
(5Z)5((4(2(4bromophenoxy)ethoxy)3chloro5methoxyphenyl)methylidene)1(4chlorophenyl)13diazinane246trione
(5Z)5(4(2(4BROMOPHENOXY)ETHOXY)3CHLORO5METHOXYBENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Cl)OCCOC4=CC=C(C=C4)Br
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCOc1ccc(cc1)Br)Cl
InChI=1SC26H19BrCl2N2O6c135221415(1321(29)23(22)37111036198216(27)3919)122024(32)3026(34)31(25(20)33)186417(28)5718h291214H1011H21H3(H303234)b2012
MFCD05975989
STK090952
ZINC000097959200
ZINC97959200
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