Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-ethoxyphenyl]-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK533362
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)/c(=C\C=C\c1ccccc1)/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 C29H28N2O6S MW 532.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O6S/c1-5-35-23-17-21(15-16-22(23)37-19(4)32)26-25(28(34)36-6-2)18(3)30-29-31(26)27(33)24(38-29)14-10-13-20-11-8-7-9-12-20/h7-17,26H,5-6H2,1-4H3/b13-10+,24-14+InChIKey
VUKZEKRTVWOOAJ-AIIARFQMSA-NSynonyms
373374-27-7(E)ethyl5(4acetoxy3ethoxyphenyl)7methyl3oxo2((E)3phenylallylidene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
373374277
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OCC)OC(=O)C)c(=O)c(=CC=Cc1ccccc1)s2
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(=CC=CC4=CC=CC=C4)S3)C)C(=O)OCC)OC(=O)C
ethyl(2E)5(4(acetyloxy)3ethoxyphenyl)7methyl3oxo2((2E)3phenylprop2en1ylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4ACETYLOXY3ETHOXYPHENYL)7METHYL3OXO2((E)3PHENYLPROP2ENYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H28N2O6Sc1535231721(151622(23)3719(4)32)2625(28(34)3662)18(3)302931(26)27(33)24(3829)14101320118791220h71726H56H214H3b1310+2414+
MFCD01947103
ZINC000100716078
ZINC000100716082
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