Vitas-M small molecule compound

ethyl (2Z)-5-(2-chlorophenyl)-2-(4-fluorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK804888
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1ccc(cc1)F)/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 C23H18ClFN2O3S MW 456.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClFN2O3S/c1-3-30-22(29)19-13(2)26-23-27(20(19)16-6-4-5-7-17(16)24)21(28)18(31-23)12-14-8-10-15(25)11-9-14/h4-12,20H,3H2,1-2H3/b18-12-
InChIKey
MTTSNMUGRVOTET-PDGQHHTCSA-N
Synonyms

(E)ethyl5(2chlorophenyl)2(4fluorobenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc(cc1)F)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=CC=C(C=C4)F)S2)C
ETHYL(2Z)5(2CHLOROPHENYL)2((4FLUOROPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(2chlorophenyl)2(4fluorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(2CHLOROPHENYL)2((4FLUOROPHENYL)METHYLENE)7METHYL3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H18ClFN2O3Sc133022(29)1913(2)262327(20(19)16645717(16)24)21(28)18(3123)121481015(25)11914h41220H3H212H3b1812
MFCD01140538
ZINC000001839534
ZINC000001839536

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Available files

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