Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((((1,3-dioxolan-2-yl)methyl)(methyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL541900
SMILES CN(CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C)CC1OCCO1
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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 C20H31NO4 MW 349.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31NO4/c1-13-5-4-6-20(2)10-17-14(9-16(13)20)15(19(22)25-17)11-21(3)12-18-23-7-8-24-18/h9,13-15,17-18H,4-8,10-12H2,1-3H3/t13-,14+,15?,17+,20+/m0/s1InChIKey
QITIRYHLULOZRG-RTVLJBADSA-NSynonyms
956944-53-9(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((13dioxolan2ylmethyl(methyl)amino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((((13dioxolan2yl)methyl)(methyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16400770
956944539
CN(CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C)CC1OCCO1
InChI=1SC20H31NO4c11354620(2)101714(916(13)20)15(19(22)2517)1121(3)121823782418h913151718H481012H213H3t1314+15?17+20+m0s1
MFCD32650015
ZINC000020609763
ZINC000020609765
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