Vitas-M small molecule compound

2'-hydroxy-3-nitro-1'-(prop-2-en-1-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
STK578875
SMILES C=CCN1C(=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 C20H22N4O5 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5/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/h2,7-8,11,16H,1,3-6,9-10,12H2,(H,21,25,27)
InChIKey
KHUFBDBKIUXFJM-UHFFFAOYSA-N
Synonyms
879469-18-8
2hydroxy3nitro1(prop2en1yl)6a7891011hexahydro4H5Hspiro(azepino(12a)quinoline65pyrimidine)46(1H)dione
879469188
C=CCN1C(=NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O))O
MFCD07208959
ZINC000009013685
ZINC000230018854

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Available files

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