Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((3,4-dimethoxybenzyl)(2-hydroxypropyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL529607
SMILES COc1cc(ccc1OC)CN(CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C)CC(O)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 C27H39NO5 MW 457.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39NO5/c1-17-7-6-10-27(3)13-25-20(12-22(17)27)21(26(30)33-25)16-28(14-18(2)29)15-19-8-9-23(31-4)24(11-19)32-5/h8-9,11,18,20-22,25,29H,1,6-7,10,12-16H2,2-5H3/t18?,20-,21?,22?,25-,27-/m1/s1InChIKey
VTQVYQCKURGPRZ-GMAFZAOKSA-NSynonyms
1212448-02-6(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(((34dimethoxyphenyl)methyl(2hydroxypropyl)amino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((34dimethoxybenzyl)(2hydroxypropyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212448026
16404122
COc1cc(ccc1OC)CN(CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C)CC(O)C
InChI=1SC27H39NO5c117761027(3)132520(1222(17)27)21(26(30)3325)1628(1418(2)29)15198923(314)24(1119)325h89111820222529H167101216H225H3t18?2021?22?2527m1s1
ZINC000008790343
ZINC000217492552
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