Vitas-M small molecule compound

(3S,3aR,8aR,9aR)-3-(((3-methoxypropyl)amino)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one

Catalog ID
STL562400
SMILES COCCCNCC1C(=O)O[C@H]2[C@@H]1CC1=C(C)CCC[C@@]1(C2)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 C19H31NO3 MW 321.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO3/c1-13-6-4-7-19(2)11-17-14(10-16(13)19)15(18(21)23-17)12-20-8-5-9-22-3/h14-15,17,20H,4-12H2,1-3H3/t14-,15?,17-,19-/m1/s1
InChIKey
BGKMCMULUPGYJR-PQACXDNCSA-N
Synonyms
956975-97-6
(3aR8aR9aR)3((3methoxypropylamino)methyl)58adimethyl33a467899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((3methoxypropyl)amino)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)one
16397087
956975976
COCCCNCC1C(=O)O(C@H)2(C@@H)1CC1=C(C)CCC(C@@)1(C2)C
InChI=1SC19H31NO3c11364719(2)111714(1016(13)19)15(18(21)2317)1220859223h14151720H412H213H3t1415?1719m1s1
ZINC000004028628
ZINC000012659984

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Available files

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