Vitas-M small molecule compound
ethyl (2E)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794289
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C\c1ccc(cc1)C(C)C)/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 C26H25N3O5S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5S/c1-5-34-25(31)22-16(4)27-26-28(23(22)19-7-6-8-20(14-19)29(32)33)24(30)21(35-26)13-17-9-11-18(12-10-17)15(2)3/h6-15,23H,5H2,1-4H3/b21-13+InChIKey
NUGKFYLVGTUTAT-FYJGNVAPSA-NSynonyms
(Z)ethyl2(4isopropylbenzylidene)7methyl5(3nitrophenyl)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)(N+)(=O)(O))c(=O)c(=Cc1ccc(cc1)C(C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C(=CC4=CC=C(C=C4)C(C)C)S2)C
ethyl(2E)7methyl5(3nitrophenyl)3oxo2((4propan2ylphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)7methyl5(3nitrophenyl)3oxo2(4(propan2yl)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL7METHYL5(3NITROPHENYL)3OXO2((4(PROPAN2YL)PHENYL)METHYLIDENE)2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
InChI=1SC26H25N3O5Sc153425(31)2216(4)272628(23(22)1976820(1419)29(32)33)24(30)21(3526)131791118(121017)15(2)3h61523H5H214H3b2113+
MFCD03091036
ZINC000019912772
ZINC000019912774
Check stock
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Check stock on Vitas-MAvailable files
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