Vitas-M small molecule compound
N-{[(1aR,1bR,7R,9aR)-7,9a-dimethyl-3-oxodecahydro-1aH-oxireno[7,8]naphtho[8a,1-b]furan-4-yl]methyl}-N,N-dimethylpentan-1-aminium
Catalog ID
STL553210
SMILES CCCCC[N+](CC1C(=O)O[C@@]23C1CC[C@H](C2CC[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 C22H38NO3 MW 364.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H38NO3/c1-6-7-8-13-23(4,5)14-16-18-10-9-15(2)17-11-12-21(3)20(26-21)22(17,18)25-19(16)24/h15-18,20H,6-14H2,1-5H3/q+1/t15-,16?,17?,18?,20-,21-,22-/m1/s1InChIKey
IPNLZZRAUONHGJ-XPTUAQGKSA-NSynonyms
((1~(R)8~(R)12~(R)14~(R))812dimethyl3oxo213dioxatetracyclo(7500^(15)0^(1214))tetradecan4yl)methyldimethylpentylazanium
44663431
CCCCC(N+)(CC1C(=O)O(C@@)23(C@H)1CC(C@H)((C@@H)2CC(C@@)1((C@H)3O1)C)C)(C)C(Br)
InChI=1SC22H38NO3c16781323(45)14161810915(2)17111221(3)20(2621)22(1718)2519(16)24h151820H614H215H3q+1t1516?17?18?202122m1s1
N(((1aR1bR4R4aS7R7aS9aR)79adimethyl3oxodecahydro1aHoxireno(2378)naphtho(8a1b)furan4yl)methyl)NNdimethylpentan1aminiumbromide
N(((1aR1bR7R9aR)79adimethyl3oxodecahydro1aHoxireno(78)naphtho(8a1b)furan4yl)methyl)NNdimethylpentan1aminium
ZINC000004073599
ZINC000013370962
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