Vitas-M small molecule compound
2'-hydroxy-3-nitro-1'-(propan-2-yl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
Catalog ID
STL151355
SMILES CC(N1C(=NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-])O)C
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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 C20H24N4O5 MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O5/c1-12(2)23-18(26)20(17(25)21-19(23)27)11-13-10-14(24(28)29)7-8-15(13)22-9-5-3-4-6-16(20)22/h7-8,10,12,16H,3-6,9,11H2,1-2H3,(H,21,25,27)InChIKey
XTCLYUDAUYPXRY-UHFFFAOYSA-NSynonyms
879467-07-92hydroxy3nitro1(propan2yl)6a7891011hexahydro4H5Hspiro(azepino(12a)quinoline65pyrimidine)46(1H)dione
3nitro1propan2ylspiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)246trione
879467079
CC(C)N1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CCCCC4)C(=O)NC1=O
CC(N1C(=NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O))O)C
InChI=1SC20H24N4O5c112(2)2318(26)20(17(25)2119(23)27)11131014(24(28)29)7815(13)229534616(20)22h78101216H36911H212H3(H212527)
MFCD07211680
ZINC000009016115
ZINC000229887141
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