Vitas-M small molecule compound
ethyl (2E)-2-[4-(acetyloxy)benzylidene]-5-[4-(acetyloxy)-3-ethoxyphenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK533445
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)OC(=O)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 C29H28N2O8S MW 564.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O8S/c1-6-36-23-15-20(10-13-22(23)39-18(5)33)26-25(28(35)37-7-2)16(3)30-29-31(26)27(34)24(40-29)14-19-8-11-21(12-9-19)38-17(4)32/h8-15,26H,6-7H2,1-5H3/b24-14+InChIKey
YTDZTQLEEFOMSH-ZVHZXABRSA-NSynonyms
(E)ethyl5(4acetoxy3ethoxyphenyl)2(4acetoxybenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)c(=Cc1ccc(cc1)OC(=O)C)s2
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(C=C4)OC(=O)C)S3)C)C(=O)OCC)OC(=O)C
ethyl(2E)2(4(acetyloxy)benzylidene)5(4(acetyloxy)3ethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxy3ethoxyphenyl)2((4acetyloxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H28N2O8Sc1636231520(101322(23)3918(5)33)2625(28(35)3772)16(3)302931(26)27(34)24(4029)141981121(12919)3817(4)32h81526H67H215H3b2414+
MFCD01949922
ZINC000097966442
ZINC000097966443
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.