Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(azepan-1-ylmethyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL529694
SMILES O=C1O[C@H]2[C@@H](C1CN1CCCCCC1)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/c1-15-8-7-9-21(2)13-19-16(12-18(15)21)17(20(23)24-19)14-22-10-5-3-4-6-11-22/h16-19H,1,3-14H2,2H3/t16-,17?,18?,19-,21-/m1/s1InChIKey
HGUYEXNOAZEXIV-UCMFBROFSA-NSynonyms
1212440-74-8(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(azepan1ylmethyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(azepan1ylmethyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212440748
16404117
InChI=1SC21H33NO2c11587921(2)131916(1218(15)21)17(20(23)2419)14221053461122h1619H1314H22H3t1617?18?1921m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCCCCC1)CC1(C@)(C2)(C)CCCC1=C
ZINC000004084921
ZINC000012882915
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