Vitas-M small molecule compound
(19E)-4-butyl-12-hydroxy-2,16-didehydrocur-19-en-4-ium-17-al
Catalog ID
STK090289
SMILES CCCC[N+]12CCC34[C@@H]2C[C@@H](/C(=C\C)/C1)C(=C3Nc1c4cccc1O)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 C23H29N2O2 MW 365.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O2/c1-3-5-10-25-11-9-23-18-7-6-8-19(27)21(18)24-22(23)17(14-26)16(12-20(23)25)15(4-2)13-25/h4,6-8,14,16,20H,3,5,9-13H2,1-2H3,(H-,24,26,27)/p+1/b15-4-/t16-,20-,23?,25?/m0/s1InChIKey
PMVPZDGAMARLPF-XIZQNFPQSA-OSynonyms
(19E)4BUTYL12HYDROXY216DIDEHYDROCUR19EN4IUM17AL
(3aS5SE)3butyl12ethylidene6formyl8hydroxy233a457hexahydro1H35ethanopyrrolo(23d)carbazol3iumchloride
CCCC(N+)12CCC34(C@@H)2C(C@@H)(C(=CC)C1)C(=C3Nc1c4cccc1O)C=O
CCCC(N+)12CCC34(C@@H)2C(C@@H)(C(=CC)C1)C(=C3Nc1c4cccc1O)C=O(Cl)
CCCC(N+)12CCC34C1CC(C(=CC)C2)C(=C3NC5=C4C=CC=C5O)C=O
InChI=1SC23H28N2O2c1351025119231876819(27)21(18)2422(23)17(1426)16(1220(23)25)15(42)1325h468141620H35913H212H3(H242627)p+1b154t162023?25?m0s1
MFCD01544698
STK090289
ZINC000245253777
ZINC000245253778
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