Vitas-M small molecule compound

1'-(4-fluorobenzyl)-3-nitro-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

Catalog ID
STK724672
SMILES Fc1ccc(cc1)CN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)[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 C24H23FN4O5 MW 466.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23FN4O5/c25-17-7-5-15(6-8-17)14-28-22(31)24(21(30)26-23(28)32)13-16-12-18(29(33)34)9-10-19(16)27-11-3-1-2-4-20(24)27/h5-10,12,20H,1-4,11,13-14H2,(H,26,30,32)
InChIKey
WHZDZLZOGSMDAZ-UHFFFAOYSA-N
Synonyms
879566-20-8
1((4fluorophenyl)methyl)3nitrospiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)246trione
1(4fluorobenzyl)3nitro6a7891011hexahydro1H5Hspiro(azepino(12a)quinoline65pyrimidine)246(3H)trione
1(4fluorobenzyl)3nitro6a7891011hexahydro2H5Hspiro(azepino(12a)quinoline65pyrimidine)246(1H3H)trione
879566208
C1CCC2C3(CC4=C(N2CC1)C=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(ccc1N1C2CCCCC1)(N+)(=O)(O)
InChI=1SC24H23FN4O5c25177515(6817)142822(31)24(21(30)2623(28)32)13161218(29(33)34)91019(16)2711312420(24)27h5101220H14111314H2(H263032)
MFCD07638886
ZINC000008974256
ZINC000230042250

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Available files

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