Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((isobutylamino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL526360
SMILES CC(CNCC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)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 C19H31NO2 MW 305.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO2/c1-12(2)10-20-11-15-14-8-16-13(3)6-5-7-19(16,4)9-17(14)22-18(15)21/h12,14-17,20H,3,5-11H2,1-2,4H3/t14-,15?,16?,17-,19-/m1/s1InChIKey
CKOHDAKTFUNGGJ-KZZPEHCYSA-NSynonyms
956825-93-7(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3((2methylpropylamino)methyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((isobutylamino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16397078
956825937
CC(CNCC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C)C
InChI=1SC19H31NO2c112(2)102011151481613(3)65719(164)917(14)2218(15)21h12141720H3511H2124H3t1415?16?1719m1s1
ZINC000004028617
ZINC000012659968
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