Vitas-M small molecule compound
3-nitro-1'-propyl-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK724715
SMILES CCCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)[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 C20H24N4O5 MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O5/c1-2-9-23-18(26)20(17(25)21-19(23)27)12-13-11-14(24(28)29)7-8-15(13)22-10-5-3-4-6-16(20)22/h7-8,11,16H,2-6,9-10,12H2,1H3,(H,21,25,27)InChIKey
WHOQXNBDZSLJMB-UHFFFAOYSA-NSynonyms
3nitro1propyl6a7891011hexahydro2H5Hspiro(azepino(12a)quinoline65pyrimidine)246(1H3H)trione
3nitro1propylspiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)246trione
CCCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CCCCC4)C(=O)NC1=O
CCCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O)
InChI=1SC20H24N4O5c1292318(26)20(17(25)2119(23)27)12131114(24(28)29)7815(13)2210534616(20)22h781116H2691012H21H3(H212527)
MFCD05860114
ZINC000004594382
ZINC000230038701
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