Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((2,5-dimethoxybenzyl)(2-morpholinoethyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL005121
SMILES COc1ccc(cc1CN(CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C)CCN1CCOCC1)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 C30H44N2O5 MW 512.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44N2O5/c1-21-6-5-9-30(2)18-28-24(17-26(21)30)25(29(33)37-28)20-32(11-10-31-12-14-36-15-13-31)19-22-16-23(34-3)7-8-27(22)35-4/h7-8,16-17,21,24-25,28H,5-6,9-15,18-20H2,1-4H3/t21-,24+,25?,28+,30+/m0/s1InChIKey
SPMVOGOLDSKNHL-NIANRTBTSA-NSynonyms
957024-05-4(3aR5S8aR9aR)3(((25dimethoxyphenyl)methyl(2morpholin4ylethyl)amino)methyl)58adimethyl33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((25dimethoxybenzyl)(2morpholinoethyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
957024054
CC1CCCC2(C1=CC3C(C2)OC(=O)C3CN(CCN4CCOCC4)CC5=C(C=CC(=C5)OC)OC)C
COc1ccc(cc1CN(CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C)CCN1CCOCC1)OC
InChI=1SC30H44N2O5c12165930(2)182824(1726(21)30)25(29(33)3728)2032(111031121436151331)19221623(343)7827(22)354h78161721242528H569151820H214H3t2124+25?28+30+m0s1
MFCD32649602
ZINC000020412820
ZINC000020412824
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.