Vitas-M small molecule compound

ethyl (2R)-2-(4-bromobenzyl)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK526121
SMILES CCOC(=O)C1=C(C)N=C2N(C1c1ccc(c(c1)OC)OC)C(=O)[C@H](S2)Cc1ccc(cc1)Br

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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 C25H25BrN2O5S MW 545.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN2O5S/c1-5-33-24(30)21-14(2)27-25-28(22(21)16-8-11-18(31-3)19(13-16)32-4)23(29)20(34-25)12-15-6-9-17(26)10-7-15/h6-11,13,20,22H,5,12H2,1-4H3/t20-,22?/m1/s1
InChIKey
WYGXEVQGKPYDCV-PSDZMVHGSA-N
Synonyms
303115-13-1
(2R)ethyl2(4bromobenzyl)5(34dimethoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
303115131
CCOC(=O)C1=C(C)N=C2N(C1c1ccc(c(c1)OC)OC)C(=O)(C@H)(S2)Cc1ccc(cc1)Br
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(S2)CC4=CC=C(C=C4)Br)C
ethyl(2R)2((4bromophenyl)methyl)5(34dimethoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2R)2(4bromobenzyl)5(34dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H25BrN2O5Sc153324(30)2114(2)272528(22(21)1681118(313)19(1316)324)23(29)20(3425)12156917(26)10715h611132022H512H214H3t2022?m1s1
MFCD18241554
ZINC000000974086
ZINC000000974087

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Available files

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