Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((cyclohexylamino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL526438
SMILES O=C1O[C@H]2[C@@H](C1CNC1CCCCC1)CC1[C@](C2)(C)CCCC1=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 C21H33NO2 MW 331.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO2/c1-14-7-6-10-21(2)12-19-16(11-18(14)21)17(20(23)24-19)13-22-15-8-4-3-5-9-15/h15-19,22H,1,3-13H2,2H3/t16-,17?,18?,19-,21-/m1/s1InChIKey
BLORDSDBDWOJGA-UCMFBROFSA-NSynonyms
956949-08-9(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((cyclohexylamino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((cyclohexylamino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16397190
956949089
InChI=1SC21H33NO2c114761021(2)121916(1118(14)21)17(20(23)2419)1322158435915h151922H1313H22H3t1617?18?1921m1s1
O=C1O(C@H)2(C@@H)(C1CNC1CCCCC1)CC1(C@)(C2)(C)CCCC1=C
ZINC000004028793
ZINC000012660113
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