Vitas-M small molecule compound
ethyl (2E)-2-{[5-(3-bromophenyl)furan-2-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797911
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccc(o1)c1cccc(c1)Br)/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 C28H23BrN2O5S MW 579.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23BrN2O5S/c1-4-35-27(33)24-16(2)30-28-31(25(24)17-8-10-20(34-3)11-9-17)26(32)23(37-28)15-21-12-13-22(36-21)18-6-5-7-19(29)14-18/h5-15,25H,4H2,1-3H3/b23-15+InChIKey
LSWJMEBYEDYYDZ-HZHRSRAPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(o1)c1cccc(c1)Br)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)Br)S2)C
ethyl(2E)2((5(3bromophenyl)furan2yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2((5(3bromophenyl)furan2yl)methylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H23BrN2O5Sc143527(33)2416(2)302831(25(24)1781020(343)11917)26(32)23(3728)1521121322(3621)1865719(29)1418h51525H4H213H3b2315+
MFCD02190223
ZINC000100838034
ZINC000100838035
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