Vitas-M small molecule compound
methyl 1-(3-methylphenyl)-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Catalog ID
STL179593
SMILES COC(=O)c1cc(nc2c1c(=O)nc(n2c1cccc(c1)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 C22H16N4O5S MW 448.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O5S/c1-12-5-3-7-14(9-12)25-19-18(20(27)24-22(25)32)16(21(28)31-2)11-17(23-19)13-6-4-8-15(10-13)26(29)30/h3-11H,1-2H3,(H,24,27,32)InChIKey
XFLKFPXWINOAPN-UHFFFAOYSA-NSynonyms
1011390-46-71011390467
CC1=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(n2c1cccc(c1)C)S)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H16N4O5Sc11253714(912)251918(20(27)2422(25)32)16(21(28)312)1117(2319)1364815(1013)26(29)30h311H12H3(H242732)
methyl1(3methylphenyl)7(3nitrophenyl)4oxo2sulfanyl14dihydropyrido(23d)pyrimidine5carboxylate
methyl1(3methylphenyl)7(3nitrophenyl)4oxo2sulfanylidenepyrido(23d)pyrimidine5carboxylate
MFCD09473159
ZINC000020605307
ZINC20605307
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