Vitas-M small molecule compound
1'-benzyl-2'-hydroxy-3-methyl-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
STK582193
SMILES CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N=C(N(C1=O)Cc1ccccc1)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 C23H23N5O5 MW 449.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5/c1-25-9-10-26-18-8-7-17(28(32)33)11-16(18)12-23(19(26)14-25)20(29)24-22(31)27(21(23)30)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,12-14H2,1H3,(H,24,29,31)InChIKey
WUUBSLFGDOAHAQ-UHFFFAOYSA-NSynonyms
879478-65-61benzyl2hydroxy3methyl8nitro2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidine)46(1H)dione
1benzyl3methyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879478656
CN1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)N=C(N(C1=O)Cc1ccccc1)O
CN1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=O)N(C3=O)CC5=CC=CC=C5
InChI=1SC23H23N5O5c12591026188717(28(32)33)1116(18)1223(19(26)1425)20(29)2422(31)27(21(23)30)13155324615h281119H9101214H21H3(H242931)
MFCD07212839
ZINC000017027554
ZINC000245329025
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