Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-ethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK050426
SMILES CCOc1cc(ccc1OCCSc1ccc(cc1)Cl)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
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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 C27H22BrClN2O5S MW 601.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrClN2O5S/c1-2-35-24-16-17(3-12-23(24)36-13-14-37-21-10-6-19(29)7-11-21)15-22-25(32)30-27(34)31(26(22)33)20-8-4-18(28)5-9-20/h3-12,15-16H,2,13-14H2,1H3,(H,30,32,34)/b22-15-InChIKey
JZEZPUUOACOOIT-JCMHNJIXSA-NSynonyms
(5Z)1(4bromophenyl)5((4(2(4chlorophenyl)sulfanylethoxy)3ethoxyphenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(4(2((4CHLOROPHENYL)SULFANYL)ETHOXY)3ETHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OCCSC4=CC=C(C=C4)Cl
CCOc1cc(ccc1OCCSc1ccc(cc1)Cl)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
InChI=1SC27H22BrClN2O5Sc1235241617(31223(24)361314372110619(29)71121)152225(32)3027(34)31(26(22)33)208418(28)5920h3121516H21314H21H3(H303234)b2215
MFCD05976164
STK050426
ZINC000097958663
ZINC97958663
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