Vitas-M small molecule compound
methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981401
SMILES COC(=O)C1=C(C)Nc2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)n(c(=O)n2C)C
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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 C18H18N4O6 MW 386.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O6/c1-9-12(17(24)28-4)13(10-6-5-7-11(8-10)22(26)27)14-15(19-9)20(2)18(25)21(3)16(14)23/h5-8,13,19H,1-4H3InChIKey
QBGQHFTWUZGLDO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)Nc2c(C1c1cccc(c1)(N+)(=O)(O))c(=O)n(c(=O)n2C)C
InChI=1SC18H18N4O6c1912(17(24)284)13(1065711(810)22(26)27)1415(199)20(2)18(25)21(3)16(14)23h581319H14H3
methyl137trimethyl5(3nitrophenyl)24dioxo123458hexahydropyrido(23d)pyrimidine6carboxylate
METHYL137TRIMETHYL5(3NITROPHENYL)24DIOXO58DIHYDROPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
METHYL58DIHYDRO137TRIMETHYL5(3NITROPHENYL)24DIOXOPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
MFCD02730775
ZINC000000951742
ZINC000000951743
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