Vitas-M small molecule compound

1'-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

Catalog ID
STK724664
SMILES O=C1NC(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CCCC1)[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 C17H18N4O5 MW 358.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O5/c1-19-15(23)17(14(22)18-16(19)24)9-10-8-11(21(25)26)5-6-12(10)20-7-3-2-4-13(17)20/h5-6,8,13H,2-4,7,9H2,1H3,(H,18,22,24)
InChIKey
RROXMKQYDIDXCF-UHFFFAOYSA-N
Synonyms
696658-89-6
1methyl8nitro12344a6hexahydro1Hspiro(pyrido(12a)quinoline55pyrimidine)246(3H)trione
1methyl8nitro2344atetrahydro1H2H6Hspiro(pyrido(12a)quinoline55pyrimidine)246(1H3H)trione
1methyl8nitrospiro(12344a6hexahydrobenzo(c)quinolizine5513diazinane)246trione
696658896
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CCCC4)C(=O)NC1=O
InChI=1SC17H18N4O5c11915(23)17(14(22)1816(19)24)910811(21(25)26)5612(10)20732413(17)20h56813H2479H21H3(H182224)
MFCD05259142
O=C1NC(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CCCC1)(N+)(=O)(O)
ZINC000008974485
ZINC000229904121

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Available files

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