Vitas-M small molecule compound
4-pentyl-2,16-didehydrocur-19-en-4-ium-17-al
Catalog ID
STL552643
SMILES CCCCC[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 C24H31N2O MW 363.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O/c1-3-5-8-12-26-13-11-24-20-9-6-7-10-21(20)25-23(24)19(16-27)18(14-22(24)26)17(4-2)15-26/h4,6-7,9-10,16,18,22H,3,5,8,11-15H2,1-2H3/p+1/b17-4-InChIKey
XQRRSKKQLILQOC-INGKJJEOSA-OSynonyms
(3S3aS5S11bRE)12ethylidene6formyl3pentyl233a457hexahydro1H35ethanopyrrolo(23d)carbazol3iumiodide
4pentyl216didehydrocur19en4ium17al
CCCCC(N+)12CC(C@@)34(C@@H)2C(C@@H)(C(=CC)C1)C(=C3Nc1c4cccc1)C=O(I)
InChI=1SC24H30N2Oc13581226131124209671021(20)2523(24)19(1627)18(1422(24)26)17(42)1526h467910161822H3581115H212H3p+1b174
ZINC001772493149
ZINC001772493150
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