Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-ethoxyphenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK534052
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)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 C28H28N2O6S MW 520.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O6S/c1-6-34-22-15-20(12-13-21(22)36-18(5)31)25-24(27(33)35-7-2)17(4)29-28-30(25)26(32)23(37-28)14-19-10-8-16(3)9-11-19/h8-15,25H,6-7H2,1-5H3/b23-14+InChIKey
SYRNENNMJWMZLZ-OEAKJJBVSA-NSynonyms
(E)ethyl5(4acetoxy3ethoxyphenyl)7methyl2(4methylbenzylidene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)c(=Cc1ccc(cc1)C)s2
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(C=C4)C)S3)C)C(=O)OCC)OC(=O)C
ethyl(2E)5(4(acetyloxy)3ethoxyphenyl)7methyl2(4methylbenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxy3ethoxyphenyl)7methyl2((4methylphenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H28N2O6Sc1634221520(121321(22)3618(5)31)2524(27(33)3572)17(4)292830(25)26(32)23(3728)141910816(3)91119h81525H67H215H3b2314+
MFCD01959266
ZINC000009310492
ZINC000009310493
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.