Vitas-M small molecule compound

ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL175988
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C\c1ccc(c(c1)COc1c(F)c(F)cc(c1F)F)OC)/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 C33H29F4N3O5S MW 655.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29F4N3O5S/c1-6-44-32(42)26-17(2)38-33-40(29(26)19-8-10-21(11-9-19)39(3)4)31(41)25(46-33)14-18-7-12-24(43-5)20(13-18)16-45-30-27(36)22(34)15-23(35)28(30)37/h7-15,29H,6,16H2,1-5H3/b25-14+
InChIKey
YMMMNYKPOSGFFU-AFUMVMLFSA-N
Synonyms
512815-28-0
512815280
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1ccc(c(c1)COc1c(F)c(F)cc(c1F)F)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CC(=C(C=C4)OC)COC5=C(C(=CC(=C5F)F)F)F)S2)C
ethyl(2E)5(4(dimethylamino)phenyl)2((4methoxy3((2356tetrafluorophenoxy)methyl)phenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4(dimethylamino)phenyl)2(4methoxy3((2356tetrafluorophenoxy)methyl)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC33H29F4N3O5Sc164432(42)2617(2)383340(29(26)1981021(11919)39(3)4)31(41)25(4633)141871224(435)20(1318)16453027(36)22(34)1523(35)28(30)37h71529H616H215H3b2514+
MFCD03467090
ZINC000008450916
ZINC000008450917

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Available files

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