Vitas-M small molecule compound

ethyl 4-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate

Catalog ID
STK784108
SMILES CCOC(=O)c1ccc(cc1)N1CC2=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 C22H20N4O6 MW 436.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O6/c1-3-32-21(28)13-7-9-15(10-8-13)25-12-17-18(20(25)27)19(23-22(29)24(17)2)14-5-4-6-16(11-14)26(30)31/h4-11,19H,3,12H2,1-2H3,(H,23,29)
InChIKey
XGCRLIAJSHQLIA-UHFFFAOYSA-N
Synonyms
879440-44-5
879440445
CCOC(=O)C1=CC=C(C=C1)N2CC3=C(C2=O)C(NC(=O)N3C)C4=CC(=CC=C4)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)N1CC2=C(C1=O)C(NC(=O)N2C)c1cccc(c1)(N+)(=O)(O)
ethyl4(1methyl4(3nitrophenyl)25dioxo123457hexahydro6Hpyrrolo(34d)pyrimidin6yl)benzoate
ethyl4(1methyl4(3nitrophenyl)25dioxo34dihydro1Hpyrrolo(34d)pyrimidin6(2H5H7H)yl)benzoate
ETHYL4(1METHYL4(3NITROPHENYL)25DIOXO47DIHYDRO3HPYRROLO(34D)PYRIMIDIN6YL)BENZOATE
InChI=1SC22H20N4O6c133221(28)137915(10813)25121718(20(25)27)19(2322(29)24(17)2)1454616(1114)26(30)31h41119H312H212H3(H2329)
MFCD06619448
ZINC000009109262
ZINC000009109263

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Available files

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