Vitas-M small molecule compound

1'-(4-fluorobenzyl)-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
STK724682
SMILES Fc1ccc(cc1)CN1C(=O)NC(=O)C2(C1=O)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 C23H21FN4O5 MW 452.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN4O5/c24-16-6-4-14(5-7-16)13-27-21(30)23(20(29)25-22(27)31)12-15-11-17(28(32)33)8-9-18(15)26-10-2-1-3-19(23)26/h4-9,11,19H,1-3,10,12-13H2,(H,25,29,31)
InChIKey
SPLYHSKEQHQNRH-UHFFFAOYSA-N
Synonyms
879567-82-5
1((4fluorophenyl)methyl)8nitrospiro(12344a6hexahydrobenzo(c)quinolizine5513diazinane)246trione
1(4fluorobenzyl)8nitro12344a6hexahydro1Hspiro(pyrido(12a)quinoline55pyrimidine)246(3H)trione
1(4fluorobenzyl)8nitro2344atetrahydro1H2H6Hspiro(pyrido(12a)quinoline55pyrimidine)246(1H3H)trione
879567825
C1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=O)N(C3=O)CC5=CC=C(C=C5)F
Fc1ccc(cc1)CN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCC1)(N+)(=O)(O)
InChI=1SC23H21FN4O5c24166414(5716)132721(30)23(20(29)2522(27)31)12151117(28(32)33)8918(15)261021319(23)26h491119H13101213H2(H252931)
MFCD07639760
ZINC000008974491
ZINC000230045130

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Available files

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