Vitas-M small molecule compound
ethyl 2-[5-(3-nitrophenyl)furan-2-yl]-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK382646
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(o1)c1cccc(c1)[N+](=O)[O-]
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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 C22H20N4O6S MW 468.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O6S/c1-2-31-22(28)25-9-8-14-17(11-25)33-21-18(14)20(27)23-19(24-21)16-7-6-15(32-16)12-4-3-5-13(10-12)26(29)30/h3-7,10,19,24H,2,8-9,11H2,1H3,(H,23,27)InChIKey
HMSOSYFPHFRSAZ-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)C5=CC(=CC=C5)(N+)(=O)(O)
CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(o1)c1cccc(c1)(N+)(=O)(O)
ethyl2(5(3nitrophenyl)furan2yl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl2(5(3nitrophenyl)furan2yl)4oxo134568hexahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC22H20N4O6Sc123122(28)25981417(1125)332118(14)20(27)2319(2421)167615(3216)1243513(1012)26(29)30h37101924H28911H21H3(H2327)
MFCD03037643
ZINC000008874869
ZINC000008874870
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