Vitas-M small molecule compound
1'-(4-chlorophenyl)-3-ethyl-2'-hydroxy-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
Catalog ID
STK576224
SMILES CCN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)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 C23H22ClN5O5 MW 483.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN5O5/c1-2-26-9-10-27-18-8-7-17(29(33)34)11-14(18)12-23(19(27)13-26)20(30)25-22(32)28(21(23)31)16-5-3-15(24)4-6-16/h3-8,11,19H,2,9-10,12-13H2,1H3,(H,25,30,32)InChIKey
UZDODSAFDFBGJD-UHFFFAOYSA-NSynonyms
727369-25-71(4chlorophenyl)3ethyl2hydroxy8nitro2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidine)46(1H)dione
1(4chlorophenyl)3ethyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
727369257
CCN1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)O
CCN1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=O)N(C3=O)C5=CC=C(C=C5)Cl
InChI=1SC23H22ClN5O5c122691027188717(29(33)34)1114(18)1223(19(27)1326)20(30)2522(32)28(21(23)31)165315(24)4616h381119H29101213H21H3(H253032)
MFCD07197700
ZINC000016956679
ZINC000245328555
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