Vitas-M small molecule compound
methyl 7-(3-nitrophenyl)-4-oxo-1-(1-phenylethyl)-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Catalog ID
STL179874
SMILES COC(=O)c1cc(nc2c1c(=O)nc(n2C(c1ccccc1)C)S)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 C23H18N4O5S MW 462.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O5S/c1-13(14-7-4-3-5-8-14)26-20-19(21(28)25-23(26)33)17(22(29)32-2)12-18(24-20)15-9-6-10-16(11-15)27(30)31/h3-13H,1-2H3,(H,25,28,33)InChIKey
AWKRTKOUDMUGSJ-UHFFFAOYSA-NSynonyms
1011387-45-31011387453
CC(C1=CC=CC=C1)N2C3=C(C(=CC(=N3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC)C(=O)NC2=S
COC(=O)c1cc(nc2c1c(=O)nc(n2C(c1ccccc1)C)S)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H18N4O5Sc113(147435814)262019(21(28)2523(26)33)17(22(29)322)1218(2420)15961016(1115)27(30)31h313H12H3(H252833)
methyl7(3nitrophenyl)4oxo1(1phenylethyl)2sulfanyl14dihydropyrido(23d)pyrimidine5carboxylate
methyl7(3nitrophenyl)4oxo1(1phenylethyl)2sulfanylidenepyrido(23d)pyrimidine5carboxylate
MFCD09473010
ZINC000036617200
ZINC000036617201
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