Vitas-M small molecule compound
ethyl 4-[8-(5-bromo-2-methoxyphenyl)-9-cyano-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Catalog ID
STK886936
SMILES CCOC(=O)c1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cc(Br)ccc1OC
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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 C24H22BrN3O4S MW 528.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN3O4S/c1-3-32-24(30)15-4-7-17(8-5-15)27-13-28-22(29)11-18(20(12-26)23(28)33-14-27)19-10-16(25)6-9-21(19)31-2/h4-10,18H,3,11,13-14H2,1-2H3InChIKey
FBOLCYGFRNPMDF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=C(C=CC(=C4)Br)OC
ethyl4(8(5bromo2methoxyphenyl)9cyano6oxo2478tetrahydropyrido(21b)(135)thiadiazin3yl)benzoate
ethyl4(8(5bromo2methoxyphenyl)9cyano6oxo78dihydro2H6Hpyrido(21b)(135)thiadiazin3(4H)yl)benzoate
InChI=1SC24H22BrN3O4Sc133224(30)154717(8515)27132822(29)1118(20(1226)23(28)331427)191016(25)6921(19)312h41018H3111314H212H3
MFCD10087610
ZINC000033356377
ZINC000033356378
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