Vitas-M small molecule compound
1'-butyl-2'-hydroxy-3-nitro-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
STK581882
SMILES CCCCN1C(=NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[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 C21H26N4O5 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O5/c1-2-3-10-24-19(27)21(18(26)22-20(24)28)13-14-12-15(25(29)30)8-9-16(14)23-11-6-4-5-7-17(21)23/h8-9,12,17H,2-7,10-11,13H2,1H3,(H,22,26,28)InChIKey
XDJZZRVSSBETBS-UHFFFAOYSA-NSynonyms
879457-92-81butyl2hydroxy3nitro6a7891011hexahydro4H5Hspiro(azepino(12a)quinoline65pyrimidine)46(1H)dione
1butyl3nitrospiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)246trione
879457928
CCCCN1C(=NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O))O
CCCCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CCCCC4)C(=O)NC1=O
InChI=1SC21H26N4O5c123102419(27)21(18(26)2220(24)28)13141215(25(29)30)8916(14)2311645717(21)23h891217H27101113H21H3(H222628)
MFCD07206780
ZINC000009089982
ZINC000230009712
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