Vitas-M small molecule compound
(19E)-4-propyl-2,16-didehydrocur-19-en-4-ium-17-al
Catalog ID
STK053899
SMILES CCC[N+]12CCC34C2CC(/C(=C\C)/C1)C(=C3Nc1c4cccc1)C=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 C22H27N2O MW 335.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O/c1-3-10-24-11-9-22-18-7-5-6-8-19(18)23-21(22)17(14-25)16(12-20(22)24)15(4-2)13-24/h4-8,14,16,20H,3,9-13H2,1-2H3/p+1/b15-4-InChIKey
NNGQLOSIKGOGJJ-TVPGTPATSA-OSynonyms
(19E)4PROPYL216DIDEHYDROCUR19EN4IUM17AL
(3S3aS5S11bRZ)12ethylidene6formyl3propyl233a457hexahydro1H35ethanopyrrolo(23d)carbazol3iumiodide
CCC(N+)12CC(C@@)34(C@@H)2C(C@@H)(C(=CC)C1)C(=C3Nc1c4cccc1)C=O(I)
CCC(N+)12CCC34C1CC(C(=CC)C2)C(=C3NC5=CC=CC=C45)C=O
CCC(N+)12CCC34C2CC(C(=CC)C1)C(=C3Nc1c4cccc1)C=O
InChI=1SC22H26N2Oc1310241192218756819(18)2321(22)17(1425)16(1220(22)24)15(42)1324h48141620H3913H212H3p+1b154
MFCD10465749
STK053899
ZINC000252441292
ZINC000252441294
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