Vitas-M small molecule compound
3-methoxy-N-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzamide
Catalog ID
STK695025
SMILES COc1cccc(c1)C(=O)NN1CC2=C(C1=O)C(NC(=O)N2C)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 C21H19N5O6 MW 437.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O6/c1-24-16-11-25(23-19(27)13-6-4-8-15(10-13)32-2)20(28)17(16)18(22-21(24)29)12-5-3-7-14(9-12)26(30)31/h3-10,18H,11H2,1-2H3,(H,22,29)(H,23,27)InChIKey
DTTGZYWXBCUUQZ-UHFFFAOYSA-NSynonyms
3methoxyN(1methyl4(3nitrophenyl)25dioxo123457hexahydro6Hpyrrolo(34d)pyrimidin6yl)benzamide
3methoxyN(1methyl4(3nitrophenyl)25dioxo47dihydro3Hpyrrolo(34d)pyrimidin6yl)benzamide
CN1C2=C(C(NC1=O)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)N(C2)NC(=O)C4=CC(=CC=C4)OC
COc1cccc(c1)C(=O)NN1CC2=C(C1=O)C(NC(=O)N2C)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H19N5O6c124161125(2319(27)1364815(1013)322)20(28)17(16)18(2221(24)29)1253714(912)26(30)31h31018H11H212H3(H2229)(H2327)
MFCD12035257
ZINC000035326645
ZINC000035326648
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