Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((3,4-dimethoxybenzyl)(2-hydroxypropyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL546306
SMILES COc1cc(ccc1OC)CN(CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](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/h8-9,11-12,17-18,20-21,25,29H,6-7,10,13-16H2,1-5H3/t17-,18?,20+,21?,25+,27+/m0/s1InChIKey
BEGSCXDXADKEKJ-IXYWMINLSA-NSynonyms
956954-81-7(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3(((34dimethoxyphenyl)methyl(2hydroxypropyl)amino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((34dimethoxybenzyl)(2hydroxypropyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16400064
956954817
COc1cc(ccc1OC)CN(CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(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)325h891112171820212529H67101316H215H3t1718?20+21?25+27+m0s1
MFCD32650027
ZINC000012863181
ZINC000105373464
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