Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((1-hydroxybutan-2-yl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL534039
SMILES CCC(NCC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C)CO
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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 C19H31NO3 MW 321.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO3/c1-4-13(11-21)20-10-15-14-8-16-12(2)6-5-7-19(16,3)9-17(14)23-18(15)22/h13-17,20-21H,2,4-11H2,1,3H3/t13?,14-,15?,16?,17-,19-/m1/s1InChIKey
MYEOACLALNDWBH-XOPDNANZSA-NSynonyms
1212432-30-8(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((1hydroxybutan2ylamino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((1hydroxybutan2yl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212432308
16404106
CCC(NCC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C)CO
InChI=1SC19H31NO3c1413(1121)2010151481612(2)65719(163)917(14)2318(15)22h13172021H2411H213H3t13?1415?16?1719m1s1
ZINC000004084900
ZINC000004084903
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