Vitas-M small molecule compound

(19E)-4-butyl-2,16-didehydrocur-19-en-4-ium-17-al

Catalog ID
STL552949
SMILES CCCC[N+]12CCC34[C@@H]2C[C@@H](/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 C23H29N2O MW 349.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O/c1-3-5-11-25-12-10-23-19-8-6-7-9-20(19)24-22(23)18(15-26)17(13-21(23)25)16(4-2)14-25/h4,6-9,15,17,21H,3,5,10-14H2,1-2H3/p+1/b16-4-/t17-,21-,23?,25?/m0/s1
InChIKey
LQDGJFHWZHMWLV-OGQDUHPZSA-O
Synonyms

(19E)4butyl216didehydrocur19en4ium17al
(3S3aS5S11bRE)3butyl12ethylidene6formyl233a457hexahydro1H35ethanopyrrolo(23d)carbazol3iumiodide
CCCC(N+)12CC(C@@)34(C@@H)2C(C@@H)(C(=CC)C1)C(=C3Nc1c4cccc1)C=O(I)
InChI=1SC23H28N2Oc135112512102319867920(19)2422(23)18(1526)17(1321(23)25)16(42)1425h469151721H351014H212H3p+1b164t172123?25?m0s1
ZINC000252461254
ZINC001772493002

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Available files

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