Vitas-M small molecule compound
1'-benzyl-3-[(4-methylphenyl)sulfonyl]-8-nitro-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
STK688323
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)NC(=O)N(C1=O)Cc1ccccc1
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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 C29H27N5O7S MW 589.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O7S/c1-19-7-10-23(11-8-19)42(40,41)31-13-14-32-24-12-9-22(34(38)39)15-21(24)16-29(25(32)18-31)26(35)30-28(37)33(27(29)36)17-20-5-3-2-4-6-20/h2-12,15,25H,13-14,16-18H2,1H3,(H,30,35,37)InChIKey
VAGGUHDHAWCTHH-UHFFFAOYSA-NSynonyms
1benzyl3((4methylphenyl)sulfonyl)8nitro2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
1benzyl3(4methylphenyl)sulfonyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CC1=CC=C(C=C1)S(=O)(=O)N2CCN3C(C2)C4(CC5=C3C=CC(=C5)(N+)(=O)(O))C(=O)NC(=O)N(C4=O)CC6=CC=CC=C6
Cc1ccc(cc1)S(=O)(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)NC(=O)N(C1=O)Cc1ccccc1
InChI=1SC29H27N5O7Sc11971023(11819)42(4041)311314322412922(34(38)39)1521(24)1629(25(32)1831)26(35)3028(37)33(27(29)36)17205324620h2121525H13141618H21H3(H303537)
MFCD07657291
ZINC000098008942
ZINC000248041655
Check stock
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Check stock on Vitas-MAvailable files
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