Vitas-M small molecule compound

ethyl (2E)-5-(2-chlorophenyl)-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
STK861361
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)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 C25H21ClN2O3S MW 464.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O3S/c1-3-31-24(30)21-16(2)27-25-28(22(21)18-13-7-8-14-19(18)26)23(29)20(32-25)15-9-12-17-10-5-4-6-11-17/h4-15,22H,3H2,1-2H3/b12-9+,20-15+
InChIKey
FIAAERPVOPLDJK-NSWHACQGSA-N
Synonyms
324543-08-0
(E)ethyl5(2chlorophenyl)7methyl3oxo2((E)3phenylallylidene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324543080
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=CC=Cc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC=CC4=CC=CC=C4)S2)C
ethyl(2E)5(2chlorophenyl)7methyl3oxo2((2E)3phenylprop2en1ylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(2CHLOROPHENYL)7METHYL3OXO2((E)3PHENYLPROP2ENYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(2CHLOROPHENYL)7METHYL3OXO2((2E)3PHENYLPROP2EN1YLIDENE)2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
ETHYL5(2CHLOROPHENYL)7METHYL3OXO2(3PHENYL2PROPENYLIDENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H21ClN2O3Sc133124(30)2116(2)272528(22(21)1813781419(18)26)23(29)20(3225)1591217105461117h41522H3H212H3b129+2015+
MFCD01140656
ZINC000008749045
ZINC000013773812

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Available files

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