Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522641
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])/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 C28H20BrN3O8S MW 638.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrN3O8S/c1-3-37-27(34)24-14(2)30-28-31(25(24)15-4-8-21-22(10-15)39-13-38-21)26(33)23(41-28)12-17-6-9-20(40-17)18-7-5-16(32(35)36)11-19(18)29/h4-12,25H,3,13H2,1-2H3/b23-12-InChIKey
RJZGLRLCURVMHV-FMCGGJTJSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(o1)c1ccc(cc1Br)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(O5)C6=C(C=C(C=C6)(N+)(=O)(O))Br)S2)C
ethyl(2Z)5(13benzodioxol5yl)2((5(2bromo4nitrophenyl)furan2yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(13BENZODIOXOL5YL)2((5(2BROMO4NITROPHENYL)FURAN2YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H20BrN3O8Sc133727(34)2414(2)302831(25(24)15482122(1015)39133821)26(33)23(4128)12176920(4017)187516(32(35)36)1119(18)29h41225H313H212H3b2312
MFCD01593351
ZINC000033353456
ZINC000033353457
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.