Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798724
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)[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 C26H23N3O8S MW 537.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O8S/c1-5-36-25(32)22-14(2)27-26-28(23(22)17-8-11-19(37-15(3)30)20(13-17)35-4)24(31)21(38-26)12-16-6-9-18(10-7-16)29(33)34/h6-13,23H,5H2,1-4H3/b21-12+InChIKey
CHABWPRRVBOUAI-CIAFOILYSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccc(cc1)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))S2)C
ethyl(2E)5(4(acetyloxy)3methoxyphenyl)7methyl2(4nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxy3methoxyphenyl)7methyl2((4nitrophenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC26H23N3O8Sc153625(32)2214(2)272628(23(22)1781119(3715(3)30)20(1317)354)24(31)21(3826)12166918(10716)29(33)34h61323H5H214H3b2112+
MFCD03417790
ZINC000100839287
ZINC000100839290
Check stock
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Check stock on Vitas-MAvailable files
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