Vitas-M small molecule compound
ethyl (2E)-2-[3-(acetyloxy)-4-methoxybenzylidene]-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798726
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1ccc(c(c1)OC(=O)C)OC)/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 C29H28N2O9S MW 580.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O9S/c1-7-38-28(35)25-15(2)30-29-31(26(25)19-9-11-21(39-16(3)32)22(14-19)37-6)27(34)24(41-29)13-18-8-10-20(36-5)23(12-18)40-17(4)33/h8-14,26H,7H2,1-6H3/b24-13+InChIKey
LMNGPZMPPLISAV-ZMOGYAJESA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccc(c(c1)OC(=O)C)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(=CC4=CC(=C(C=C4)OC)OC(=O)C)S2)C
ethyl(2E)2(3(acetyloxy)4methoxybenzylidene)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxy3methoxyphenyl)2((3acetyloxy4methoxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H28N2O9Sc173828(35)2515(2)302931(26(25)1991121(3916(3)32)22(1419)376)27(34)24(4129)131881020(365)23(1218)4017(4)33h81426H7H216H3b2413+
MFCD03417791
ZINC000100839295
ZINC000100839296
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.