Vitas-M small molecule compound

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

Catalog ID
STK724721
SMILES O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2C2(C)CC1CC(C2)(C)C)[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 C23H28N4O5 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O5/c1-21(2)10-15-11-22(3,12-21)17-23(18(28)24(4)20(30)25(5)19(23)29)9-13-8-14(27(31)32)6-7-16(13)26(15)17/h6-8,15,17H,9-12H2,1-5H3
InChIKey
DHODMZNNQNKHKU-UHFFFAOYSA-N
Synonyms
1212104-77-2
1212104772
13799pentamethyl3nitro6a7891011hexahydro1H5Hspiro(711methanoazepino(12a)quinoline65pyrimidine)246(3H)trione
13799pentamethyl3nitro6a7891011hexahydro2H5Hspiro(711methanoazepino(12a)quinoline65pyrimidine)246(1H3H)trione
CC1(CC2CC(C1)(C3N2C4=C(CC35C(=O)N(C(=O)N(C5=O)C)C)C=C(C=C4)(N+)(=O)(O))C)C
InChI=1SC23H28N4O5c121(2)10151122(31221)1723(18(28)24(4)20(30)25(5)19(23)29)913814(27(31)32)6716(13)26(15)17h681517H912H215H3
MFCD06774069
O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2C2(C)CC1CC(C2)(C)C)(N+)(=O)(O)
ZINC000101325327
ZINC000245325249

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Available files

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