Vitas-M small molecule compound
ethyl (2E)-2-(3-bromo-4,5-dimethoxybenzylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK674923
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C\c1cc(Br)c(c(c1)OC)OC)/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 C27H28BrN3O5S MW 586.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrN3O5S/c1-7-36-26(33)22-15(2)29-27-31(23(22)17-8-10-18(11-9-17)30(3)4)25(32)21(37-27)14-16-12-19(28)24(35-6)20(13-16)34-5/h8-14,23H,7H2,1-6H3/b21-14+InChIKey
PTWGWWCLDWDZRY-KGENOOAVSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1cc(Br)c(c(c1)OC)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CC(=C(C(=C4)Br)OC)OC)S2)C
ethyl(2E)2((3bromo45dimethoxyphenyl)methylidene)5(4(dimethylamino)phenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((3BROMO45DIMETHOXYPHENYL)METHYLIDENE)5(4DIMETHYLAMINOPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(3bromo45dimethoxybenzylidene)5(4(dimethylamino)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(4(DIMETHYLAMINO)PHENYL)2((3BROMO45DIMETHOXYPHENYL)METHYLENE)7METHYL3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H28BrN3O5Sc173626(33)2215(2)292731(23(22)1781018(11917)30(3)4)25(32)21(3727)14161219(28)24(356)20(1316)345h81423H7H216H3b2114+
MFCD01155346
ZINC000100073189
ZINC000100073190
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