Vitas-M small molecule compound

1'-(4-chlorophenyl)-8-nitro-3-phenyl-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
STK577095
SMILES Clc1ccc(cc1)N1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1)[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 C27H22ClN5O5 MW 531.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN5O5/c28-18-6-8-20(9-7-18)32-25(35)27(24(34)29-26(32)36)15-17-14-21(33(37)38)10-11-22(17)31-13-12-30(16-23(27)31)19-4-2-1-3-5-19/h1-11,14,23H,12-13,15-16H2,(H,29,34,36)
InChIKey
VCHKYHFCQMGSFN-UHFFFAOYSA-N
Synonyms
879588-32-6
1(4chlorophenyl)8nitro3phenyl12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
1(4chlorophenyl)8nitro3phenyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
1(4chlorophenyl)8nitro3phenylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879588326
C1CN2C(CN1C3=CC=CC=C3)C4(CC5=C2C=CC(=C5)(N+)(=O)(O))C(=O)NC(=O)N(C4=O)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)N1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1)(N+)(=O)(O)
InChI=1SC27H22ClN5O5c28186820(9718)3225(35)27(24(34)2926(32)36)15171421(33(37)38)101122(17)31131230(1623(27)31)194213519h1111423H12131516H2(H293436)
MFCD07640175
ZINC000097957091
ZINC000230054272

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Available files

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