Vitas-M small molecule compound
(19E)-4-ethyl-2,16-didehydrocur-19-en-4-ium-17-al
Catalog ID
STL552668
SMILES C/C=C\1/C[N+]2(CC)CCC34[C@@H]2C[C@@H]1C(=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 C21H25N2O MW 321.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O/c1-3-14-12-23(4-2)10-9-21-17-7-5-6-8-18(17)22-20(21)16(13-24)15(14)11-19(21)23/h3,5-8,13,15,19H,4,9-12H2,1-2H3/p+1/b14-3-/t15-,19-,21?,23?/m0/s1InChIKey
IPBVRFAPNWZMGD-DJUOQBGMSA-OSynonyms
(11~(S)12~(E)17~(S))14ethyl12ethylidene8aza14azoniapentacyclo(9520^(19)0^(27)0^(1417))octadeca2469tetraene10carbaldehyde
(19E)4ethyl216didehydrocur19en4ium17al
(3aS5SE)3ethyl12ethylidene6formyl233a457hexahydro1H35ethanopyrrolo(23d)carbazol3iumbromide
129894757
CC=C1C(N+)2(CC)CCC34(C@@H)2C(C@@H)1C(=C3Nc1c4cccc1)C=O(Br)
InChI=1SC21H24N2Oc13141223(42)1092117756818(17)2220(21)16(1324)15(14)1119(21)23h358131519H4912H212H3p+1b143t151921?23?m0s1
ZINC000252441151
ZINC000252679158
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