Vitas-M small molecule compound

1-tert-butyl-7'-nitro-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione

Catalog ID
STK724700
SMILES O=C1NC(=O)C2(C(=O)N1C(C)(C)C)Cc1cc(ccc1N1C2CCC1)[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 C19H22N4O5 MW 386.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O5/c1-18(2,3)22-16(25)19(15(24)20-17(22)26)10-11-9-12(23(27)28)6-7-13(11)21-8-4-5-14(19)21/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,24,26)
InChIKey
HRQLXSMHQYLFTO-UHFFFAOYSA-N
Synonyms
879765-59-0
1(tertbutyl)7nitro233a5tetrahydro1H1Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(3H)trione
1tertbutyl7nitro1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trione
1tertbutyl7nitrospiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)246trione
879765590
CC(C)(C)N1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CCC4)C(=O)NC1=O
InChI=1SC19H22N4O5c118(23)2216(25)19(15(24)2017(22)26)1011912(23(27)28)6713(11)2184514(19)21h67914H45810H213H3(H202426)
MFCD07639906
O=C1NC(=O)C2(C(=O)N1C(C)(C)C)Cc1cc(ccc1N1C2CCC1)(N+)(=O)(O)
ZINC000008995578
ZINC000229906132

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Available files

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