Vitas-M small molecule compound

(3S,3aR,8aR,9aR)-3-(((1,3-dihydroxy-2-methylpropan-2-yl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one

Catalog ID
STL527458
SMILES OCC(NCC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C)(CO)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 C19H31NO4 MW 337.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO4/c1-12-5-4-6-18(2)8-16-13(7-15(12)18)14(17(23)24-16)9-20-19(3,10-21)11-22/h13-16,20-22H,1,4-11H2,2-3H3/t13-,14?,15?,16-,18-/m1/s1
InChIKey
ZPFGPEQHANNUMR-BJQCOLKSSA-N
Synonyms
956709-40-3
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(((13dihydroxy2methylpropan2yl)amino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((13dihydroxy2methylpropan2yl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16397985
956709403
InChI=1SC19H31NO4c11254618(2)81613(715(12)18)14(17(23)2416)92019(31021)1122h13162022H1411H223H3t1314?15?1618m1s1
OCC(NCC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C)(CO)C
ZINC000004040923
ZINC000012661409

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Available files

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