Vitas-M small molecule compound
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-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
STL508410
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)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 C27H24N4O6S MW 532.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O6S/c1-5-35-25(33)22-14(2)28-26-31(23(22)16-7-9-19-20(12-16)37-13-36-19)24(32)21(38-26)11-15-6-8-17-18(10-15)30(4)27(34)29(17)3/h6-12,23H,5,13H2,1-4H3/b21-11+InChIKey
PAZSQCSFSMTWFD-SRZZPIQSSA-NSynonyms
21168455
ethyl(2~(E))5(13benzodioxol5yl)2((13dimethyl2oxobenzimidazol5yl)methylidene)7methyl3oxo5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(13benzodioxol5yl)2((13dimethyl2oxo23dihydro1Hbenzimidazol5yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H24N4O6Sc153525(33)2214(2)282631(23(22)16791920(1216)37133619)24(32)21(3826)1115681718(1015)30(4)27(34)29(17)3h61223H513H214H3b2111+
MFCD02809398
ZINC000103583463
ZINC000103583468
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