Vitas-M small molecule compound

ethyl (2E)-5-[4-(acetyloxy)-3-ethoxyphenyl]-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK534631
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)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 C28H28N2O7S MW 536.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7S/c1-6-35-22-15-19(10-13-21(22)37-17(4)31)25-24(27(33)36-7-2)16(3)29-28-30(25)26(32)23(38-28)14-18-8-11-20(34-5)12-9-18/h8-15,25H,6-7H2,1-5H3/b23-14+
InChIKey
OAKJQHNPMCZGAT-OEAKJJBVSA-N
Synonyms
374100-79-5
(E)ethyl5(4acetoxy3ethoxyphenyl)2(4methoxybenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
374100795
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)c(=Cc1ccc(cc1)OC)s2
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(C=C4)OC)S3)C)C(=O)OCC)OC(=O)C
ethyl(2E)5(4(acetyloxy)3ethoxyphenyl)2(4methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxy3ethoxyphenyl)2((4methoxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H28N2O7Sc1635221519(101321(22)3717(4)31)2524(27(33)3672)16(3)292830(25)26(32)23(3828)141881120(345)12918h81525H67H215H3b2314+
MFCD01953006
ZINC000100721781
ZINC000100721782

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.