Vitas-M small molecule compound
1'-methyl-3-[(4-methylphenyl)sulfonyl]-8-nitro-3'-propyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK685671
SMILES CCCN1C(=O)N(C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)S(=O)(=O)c1ccc(cc1)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 C26H29N5O7S MW 555.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O7S/c1-4-11-30-24(33)26(23(32)27(3)25(30)34)15-18-14-19(31(35)36)7-10-21(18)29-13-12-28(16-22(26)29)39(37,38)20-8-5-17(2)6-9-20/h5-10,14,22H,4,11-13,15-16H2,1-3H3InChIKey
HPSWGYQGFJUBNY-UHFFFAOYSA-NSynonyms
1methyl3((4methylphenyl)sulfonyl)8nitro3propyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
1methyl3(4methylphenyl)sulfonyl8nitro3propylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CCCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)S(=O)(=O)C5=CC=C(C=C5)C)C(=O)N(C1=O)C
CCCN1C(=O)N(C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)S(=O)(=O)c1ccc(cc1)C)(N+)(=O)(O)
InChI=1SC26H29N5O7Sc14113024(33)26(23(32)27(3)25(30)34)15181419(31(35)36)71021(18)29131228(1622(26)29)39(3738)208517(2)6920h5101422H411131516H213H3
MFCD05860111
ZINC000098007379
ZINC000230038665
Check stock
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Check stock on Vitas-MAvailable files
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