Vitas-M small molecule compound
ethyl (2E)-2-[2-(acetyloxy)-5-bromobenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK527325
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cc(Br)ccc1OC(=O)C)/s2
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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 C25H21BrN2O5S MW 541.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O5S/c1-4-32-24(31)21-14(2)27-25-28(22(21)16-8-6-5-7-9-16)23(30)20(34-25)13-17-12-18(26)10-11-19(17)33-15(3)29/h5-13,22H,4H2,1-3H3/b20-13+InChIKey
MLEBHNZHOZEGNV-DEDYPNTBSA-NSynonyms
313966-36-8(E)ethyl2(2acetoxy5bromobenzylidene)7methyl3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
313966368
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cc(Br)ccc1OC(=O)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=C(C=CC(=C4)Br)OC(=O)C)S2)C
ethyl(2E)2((2acetyloxy5bromophenyl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(2(acetyloxy)5bromobenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H21BrN2O5Sc143224(31)2114(2)272528(22(21)168657916)23(30)20(3425)13171218(26)101119(17)3315(3)29h51322H4H213H3b2013+
MFCD01246423
ZINC000033353208
ZINC000033353209
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