Vitas-M small molecule compound

ethyl (2Z)-5-[4-(dimethylamino)phenyl]-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
STL506673
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)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 C28H29N5O4S MW 531.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4S/c1-7-37-26(35)23-16(2)29-27-33(24(23)18-9-11-19(12-10-18)30(3)4)25(34)22(38-27)15-17-8-13-20-21(14-17)32(6)28(36)31(20)5/h8-15,24H,7H2,1-6H3/b22-15-
InChIKey
GPNLUZDFTRYZFS-JCMHNJIXSA-N
Synonyms

5803975
ethyl(2~(Z))5(4(dimethylamino)phenyl)2((13dimethyl2oxobenzimidazol5yl)methylidene)7methyl3oxo5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4(DIMETHYLAMINO)PHENYL)2((13DIMETHYL2OXO23DIHYDRO1HBENZIMIDAZOL5YL)METHYLENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(4(dimethylamino)phenyl)2((13dimethyl2oxo23dihydro1Hbenzimidazol5yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4DIMETHYLAMINOPHENYL)2((13DIMETHYL2OXOBENZIMIDAZOL5YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H29N5O4Sc173726(35)2316(2)292733(24(23)1891119(121018)30(3)4)25(34)22(3827)15178132021(1417)32(6)28(36)31(20)5h81524H7H216H3b2215
MFCD05028573
ZINC000001096232
ZINC000001096234

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.