Vitas-M small molecule compound

ethyl (2E)-2-({5-[(2,4-difluorophenoxy)methyl]furan-2-yl}methylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL176599
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C\c1ccc(o1)COc1ccc(cc1F)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 C30H27F2N3O5S MW 579.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27F2N3O5S/c1-5-38-29(37)26-17(2)33-30-35(27(26)18-6-9-20(10-7-18)34(3)4)28(36)25(41-30)15-21-11-12-22(40-21)16-39-24-13-8-19(31)14-23(24)32/h6-15,27H,5,16H2,1-4H3/b25-15+
InChIKey
LZFSHYSXRYHPDY-MFKUBSTISA-N
Synonyms
828272-48-6
828272486
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1ccc(o1)COc1ccc(cc1F)F)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CC=C(O4)COC5=C(C=C(C=C5)F)F)S2)C
ethyl(2E)2((5((24difluorophenoxy)methyl)furan2yl)methylidene)5(4(dimethylamino)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2((5((24difluorophenoxy)methyl)furan2yl)methylidene)5(4(dimethylamino)phenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC30H27F2N3O5Sc153829(37)2617(2)333035(27(26)186920(10718)34(3)4)28(36)25(4130)1521111222(4021)16392413819(31)1423(24)32h61527H516H214H3b2515+
MFCD04049704
ZINC000102442252
ZINC000102442256

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Available files

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