Vitas-M small molecule compound
N-(((1aR,1bR,4R,4aS,7R,7aS,9aR)-7,9a-dimethyl-3-oxodecahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-4-yl)methyl)-N,N-dimethylbutan-1-aminium iodide
Catalog ID
STL553218
SMILES CCCC[N+](CC1C(=O)O[C@@]23[C@H]1CC[C@H]([C@@H]2CC[C@@]1([C@H]3O1)C)C)(C)C
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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 C21H36NO3 MW 350.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H36NO3/c1-6-7-12-22(4,5)13-15-17-9-8-14(2)16-10-11-20(3)19(25-20)21(16,17)24-18(15)23/h14-17,19H,6-13H2,1-5H3/q+1/t14-,15?,16+,17+,19-,20-,21-/m1/s1InChIKey
XRMRHJDUMVLMMB-POPZQTFWSA-NSynonyms
16400252
butyl(((1~(R)5~(S)8~(R)9~(S)12~(R)14~(R))812dimethyl3oxo213dioxatetracyclo(7500^(15)0^(1214))tetradecan4yl)methyl)dimethylazanium
CCCC(N+)(CC1C(=O)O(C@@)23(C@H)1CC(C@H)((C@@H)2CC(C@@)1((C@H)3O1)C)C)(C)C(I)
InChI=1SC21H36NO3c1671222(45)1315179814(2)16101120(3)19(2520)21(1617)2418(15)23h141719H613H215H3q+1t1415?16+17+192021m1s1
N(((1aR1bR4R4aS7R7aS9aR)79adimethyl3oxodecahydro1aHoxireno(2378)naphtho(8a1b)furan4yl)methyl)NNdimethylbutan1aminiumiodide
ZINC000004073256
ZINC000012863978
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