Vitas-M small molecule compound
ethyl 4-hydroxy-2-[5-(2-nitrophenyl)furan-2-yl]-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK383982
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(o1)c1ccccc1[N+](=O)[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)25-10-9-13-17(11-25)33-21-18(13)20(27)23-19(24-21)16-8-7-15(32-16)12-5-3-4-6-14(12)26(29)30/h3-8,19,24H,2,9-11H2,1H3,(H,23,27)InChIKey
URHOEBUHGCWJRP-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(=NC(N1)c1ccc(o1)c1ccccc1(N+)(=O)(O))O
ethyl2(5(2nitrophenyl)furan2yl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl4hydroxy2(5(2nitrophenyl)furan2yl)1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC22H20N4O6Sc123122(28)251091317(1125)332118(13)20(27)2319(2421)168715(3216)12534614(12)26(29)30h381924H2911H21H3(H2327)
MFCD03837118
ZINC000008921186
ZINC000008921189
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