Vitas-M small molecule compound

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

Catalog ID
STK534306
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)N(C)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 C29H31N3O6S MW 549.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O6S/c1-7-36-23-16-20(11-14-22(23)38-18(4)33)26-25(28(35)37-8-2)17(3)30-29-32(26)27(34)24(39-29)15-19-9-12-21(13-10-19)31(5)6/h9-16,26H,7-8H2,1-6H3/b24-15+
InChIKey
YMHQPJIFAPLBTP-BUVRLJJBSA-N
Synonyms
374090-60-5
(E)ethyl5(4acetoxy3ethoxyphenyl)2(4(dimethylamino)benzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
374090605
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)c(=Cc1ccc(cc1)N(C)C)s2
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(C=C4)N(C)C)S3)C)C(=O)OCC)OC(=O)C
ethyl(2E)5(4(acetyloxy)3ethoxyphenyl)2(4(dimethylamino)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxy3ethoxyphenyl)2((4(dimethylamino)phenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H31N3O6Sc1736231620(111422(23)3818(4)33)2625(28(35)3782)17(3)302932(26)27(34)24(3929)151991221(131019)31(5)6h91626H78H216H3b2415+
MFCD01950721
ZINC000100719724
ZINC000100719729

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Available files

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