Vitas-M small molecule compound
methyl (2E)-2-[4-(acetyloxy)-3-ethoxybenzylidene]-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798108
SMILES CCOc1cc(ccc1OC(=O)C)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OC)C
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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 C29H28N2O9S MW 580.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O9S/c1-7-38-23-12-18(8-10-21(23)40-17(4)33)13-24-27(34)31-26(25(28(35)37-6)15(2)30-29(31)41-24)19-9-11-20(39-16(3)32)22(14-19)36-5/h8-14,26H,7H2,1-6H3/b24-13+InChIKey
DJNNEWDXMRYRBS-ZMOGYAJESA-NSynonyms
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC(=C(C=C4)OC(=O)C)OC)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OC)C
InChI=1SC29H28N2O9Sc1738231218(81021(23)4017(4)33)132427(34)3126(25(28(35)376)15(2)3029(31)4124)1991120(3916(3)32)22(1419)365h81426H7H216H3b2413+
METHYL(2E)2((4ACETYLOXY3ETHOXYPHENYL)METHYLIDENE)5(4ACETYLOXY3METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2E)2(4(acetyloxy)3ethoxybenzylidene)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417341
ZINC000100838257
ZINC000100838258
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.