Vitas-M small molecule compound

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

Catalog ID
STK529840
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccc(cc1Cl)Cl)/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 C25H20Cl2N2O5S MW 531.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N2O5S/c1-4-33-24(32)21-13(2)28-25-29(22(21)15-6-9-18(10-7-15)34-14(3)30)23(31)20(35-25)11-16-5-8-17(26)12-19(16)27/h5-12,22H,4H2,1-3H3/b20-11+
InChIKey
GXBNUHKSCDDPFV-RGVLZGJSSA-N
Synonyms
313966-30-2
(E)ethyl5(4acetoxyphenyl)2(24dichlorobenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
313966302
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccc(cc1Cl)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(=CC4=C(C=C(C=C4)Cl)Cl)S2)C
ethyl(2E)5(4(acetyloxy)phenyl)2(24dichlorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxyphenyl)2((24dichlorophenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H20Cl2N2O5Sc143324(32)2113(2)282529(22(21)156918(10715)3414(3)30)23(31)20(3525)11165817(26)1219(16)27h51222H4H213H3b2011+
MFCD01246418
ZINC000097949579
ZINC000097949580

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Available files

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