Vitas-M small molecule compound
(4aR,5R)-1'-tert-butyl-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
STK633999
SMILES CN1CCN2[C@@H](C1)[C@]1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N=C(N(C1=O)C(C)(C)C)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 C20H25N5O5 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O5/c1-19(2,3)24-17(27)20(16(26)21-18(24)28)10-12-9-13(25(29)30)5-6-14(12)23-8-7-22(4)11-15(20)23/h5-6,9,15H,7-8,10-11H2,1-4H3,(H,21,26,28)/t15-,20+/m0/s1InChIKey
JITQOXBPJHLUPR-MGPUTAFESA-NSynonyms
1212068-28-4(4aR5R)1tertbutyl2hydroxy3methyl8nitro2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidine)46(1H)dione
(4aR5R)1tertbutyl3methyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
1212068284
CC(C)(C)N1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C)C(=O)NC1=O
CN1CCN2(C@@H)(C1)(C@)1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)N=C(N(C1=O)C(C)(C)C)O
InChI=1SC20H25N5O5c119(23)2417(27)20(16(26)2118(24)28)1012913(25(29)30)5614(12)238722(4)1115(20)23h56915H781011H214H3(H212628)t1520+m0s1
MFCD18160265
ZINC000013729656
ZINC13729656
Check stock
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