Vitas-M small molecule compound
4,4-dimethyl-8'-nitro-3'-(pyrimidin-2-yl)-2',3',4',4a'-tetrahydro-1'H,2H,6H,6'H-spiro[cyclohexane-1,5'-pyrazino[1,2-a]quinoline]-2,6-dione
Catalog ID
STK607321
SMILES O=C1CC(C)(C)CC(=O)C21Cc1cc(ccc1N1C2CN(CC1)c1ncccn1)[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 C23H25N5O4 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O4/c1-22(2)12-19(29)23(20(30)13-22)11-15-10-16(28(31)32)4-5-17(15)27-9-8-26(14-18(23)27)21-24-6-3-7-25-21/h3-7,10,18H,8-9,11-14H2,1-2H3InChIKey
PASMGLLBNNMJCV-UHFFFAOYSA-NSynonyms
921167-65-944dimethyl8nitro3(pyrimidin2yl)12344a6hexahydrospiro(cyclohexane15pyrazino(12a)quinoline)26dione
44dimethyl8nitro3(pyrimidin2yl)2344atetrahydro1H2H6H6Hspiro(cyclohexane15pyrazino(12a)quinoline)26dione
55dimethyl8nitro3pyrimidin2ylspiro(244a6tetrahydro1Hpyrazino(12a)quinoline52cyclohexane)13dione
CC1(CC(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C5=NC=CC=N5)C(=O)C1)C
O=C1CC(C)(C)CC(=O)C21Cc1cc(ccc1N1C2CN(CC1)c1ncccn1)(N+)(=O)(O)
Registry IDs
MFCD08743624ZINC000009060702
ZINC000009060703
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