Vitas-M small molecule compound

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

Catalog ID
STL528712
SMILES OCCCN(CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C)Cc1ccc(c(c1)OC)OC

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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/c1-18-7-5-10-27(2)15-25-20(14-22(18)27)21(26(30)33-25)17-28(11-6-12-29)16-19-8-9-23(31-3)24(13-19)32-4/h8-9,13-14,18,20-21,25,29H,5-7,10-12,15-17H2,1-4H3/t18-,20+,21?,25+,27+/m0/s1
InChIKey
DFILFLBFZIMCIO-PWBHNZDHSA-N
Synonyms

(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3(((34dimethoxyphenyl)methyl(3hydroxypropyl)amino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((34dimethoxybenzyl)(3hydroxypropyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)oneoxalate
16400727
InChI=1SC27H39NO5c118751027(2)152520(1422(18)27)21(26(30)3325)1728(1161229)16198923(313)24(1319)324h8913141820212529H5710121517H214H3t1820+21?25+27+m0s1
MFCD32649892
OC(=O)C(=O)OOCCCN(CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C)Cc1ccc(c(c1)OC)OC
ZINC000008918357
ZINC000012865921

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Available files

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