Vitas-M small molecule compound
4-nonylajmalan-4-ium-17,21-diol
Catalog ID
STL005288
SMILES CCCCCCCCC[N+]12C(O)C(CC)C3C4C1CC1(C(C2C3)N(C)c2c1cccc2)C4O
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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 C29H45N2O2 MW 453.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H45N2O2/c1-4-6-7-8-9-10-13-16-31-23-17-20(19(5-2)28(31)33)25-24(31)18-29(27(25)32)21-14-11-12-15-22(21)30(3)26(23)29/h11-12,14-15,19-20,23-28,32-33H,4-10,13,16-18H2,1-3H3/q+1InChIKey
HULQLTYDKCDRDQ-UHFFFAOYSA-NSynonyms
(5aR8R9S10S11S11aS12aR)9ethyl813dihydroxy5methyl7nonyl55a6789101111a12decahydro6101112adimethanoindolo(32b)quinolizin7iumbromide
4nonylajmalan4ium1721diol
CCCCCCCCC(N+)12(C@H)(O)(C@@H)(CC)(C@@H)3C4(C@@H)1C(C@@)1((C@H)(C2C3)N(C)c2c1cccc2)(C@H)4O(Br)
CCCCCCCCC(N+)12C(O)C(CC)C3C4C1CC1(C(C2C3)N(C)c2c1cccc2)C4O
CCCCCCCCC(N+)12C3CC(C(C1O)CC)C4C2CC5(C3N(C6=CC=CC=C65)C)C4O
InChI=1SC29H45N2O2c14678910131631231720(19(52)28(31)33)2524(31)1829(27(25)32)211411121522(21)30(3)26(23)29h11121415192023283233H410131618H213H3q+1
ZINC000504316758
ZINC000504316761
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