Vitas-M small molecule compound
ethyl (2Z)-5-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3,5-dinitrobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK377867
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1cc(cc(c1O)[N+](=O)[O-])[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 C25H22N4O10S MW 570.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O10S/c1-5-39-24(32)20-12(2)26-25-27(21(20)13-6-7-17(37-3)18(9-13)38-4)23(31)19(40-25)10-14-8-15(28(33)34)11-16(22(14)30)29(35)36/h6-11,21,30H,5H2,1-4H3/b19-10-InChIKey
XXEASHXBYSMOAU-GRSHGNNSSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1cc(cc(c1O)(N+)(=O)(O))(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC(=CC(=C4O)(N+)(=O)(O))(N+)(=O)(O))S2)C
ethyl(2Z)5(34dimethoxyphenyl)2((2hydroxy35dinitrophenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)5(34dimethoxyphenyl)2(2hydroxy35dinitrobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H22N4O10Sc153924(32)2012(2)262527(21(20)136717(373)18(913)384)23(31)19(4025)1014815(28(33)34)1116(22(14)30)29(35)36h6112130H5H214H3b1910
MFCD01592255
ZINC000059222082
ZINC000059222083
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.