Vitas-M small molecule compound
1'-methyl-8-nitro-3-(phenylcarbonyl)-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione
Catalog ID
STK783307
SMILES O=C(N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)NC(=S)N(C1=O)C)c1ccccc1
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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 C23H21N5O5S MW 479.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O5S/c1-25-21(31)23(20(30)24-22(25)34)12-15-11-16(28(32)33)7-8-17(15)27-10-9-26(13-18(23)27)19(29)14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,24,30,34)InChIKey
VZUFDUGWXXLLOB-UHFFFAOYSA-NSynonyms
1methyl8nitro3(phenylcarbonyl)2thioxo2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)46(1H3H)dione
3benzoyl1methyl8nitro2sulfanylidenespiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)46dione
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C(=O)C5=CC=CC=C5)C(=O)NC1=S
InChI=1SC23H21N5O5Sc12521(31)23(20(30)2422(25)34)12151116(28(32)33)7817(15)2710926(1318(23)27)19(29)145324614h281118H9101213H21H3(H243034)
MFCD06191315
O=C(N1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)NC(=S)N(C1=O)C)c1ccccc1
ZINC000012416553
ZINC000230051798
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