Vitas-M small molecule compound
ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK090319
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)ccc1OC)c(=O)/c(=C\c1ccc3c(c1)n(C)c(=O)n3C)/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 C28H28N4O6S MW 548.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O6S/c1-7-38-26(34)23-15(2)29-27-32(24(23)18-14-17(36-5)9-11-21(18)37-6)25(33)22(39-27)13-16-8-10-19-20(12-16)31(4)28(35)30(19)3/h8-14,24H,7H2,1-6H3/b22-13+InChIKey
IBCPCVZHIQCZTC-LPYMAVHISA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)ccc1OC)c(=O)c(=Cc1ccc3c(c1)n(C)c(=O)n3C)s2
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)OC)OC)C(=O)C(=CC4=CC5=C(C=C4)N(C(=O)N5C)C)S2)C
ETHYL(2E)5(25DIMETHOXYPHENYL)2((13DIMETHYL2OXO23DIHYDRO1HBENZIMIDAZOL5YL)METHYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)5(25dimethoxyphenyl)2((13dimethyl2oxobenzimidazol5yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(25DIMETHOXYPHENYL)2((13DIMETHYL2OXO23DIHYDRO1HBENZIMIDAZOL5YL)METHYLENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H28N4O6Sc173826(34)2315(2)292732(24(23)181417(365)91121(18)376)25(33)22(3927)13168101920(1216)31(4)28(35)30(19)3h81424H7H216H3b2213+
MFCD02945924
STK090319
ZINC000008454198
ZINC000008454199
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