Vitas-M small molecule compound

(1S,9aS)-1-[({[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]carbonyl}oxy)methyl]-5-methyloctahydro-2H-quinolizinium

Catalog ID
STL552840
SMILES O=C1C=CC(=O)N1c1ccc(cc1)C(=O)OC[C@H]1CCC[N+]2([C@H]1CCCC2)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 C22H27N2O4 MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N2O4/c1-24-13-3-2-6-19(24)17(5-4-14-24)15-28-22(27)16-7-9-18(10-8-16)23-20(25)11-12-21(23)26/h7-12,17,19H,2-6,13-15H2,1H3/q+1/t17-,19+,24?/m1/s1
InChIKey
CWEYTWAYKGMFDH-HJZDTSKPSA-N
Synonyms

((1~(S)9~(a)~(S))5methyl23467899~(a)octahydro1~(H)quinolizin5ium1yl)methyl4(25dioxopyrrol1yl)benzoate
(1S9aS)1((((4(25dioxo25dihydro1Hpyrrol1yl)phenyl)carbonyl)oxy)methyl)5methyloctahydro2Hquinolizinium
(1S9aS)1(((4(25dioxo25dihydro1Hpyrrol1yl)benzoyl)oxy)methyl)5methyldecahydroquinolizin5iumiodide
7002809
InChI=1SC22H27N2O4c1241332619(24)17(541424)152822(27)167918(10816)2320(25)111221(23)26h7121719H261315H21H3q+1t1719+24?m1s1
O=C1C=CC(=O)N1c1ccc(cc1)C(=O)OC(C@H)1CCC(N+)2((C@H)1CCCC2)C(I)
ZINC000252460246
ZINC000252460247
ZINC4028613

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Available files

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