Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-(((furan-2-ylmethyl)(4-methoxybenzyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL002267
SMILES COc1ccc(cc1)CN(CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C)Cc1ccco1
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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 C28H35NO4 MW 449.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35NO4/c1-19-6-4-12-28(2)15-26-23(14-25(19)28)24(27(30)33-26)18-29(17-22-7-5-13-32-22)16-20-8-10-21(31-3)11-9-20/h5,7-11,13,23-26H,1,4,6,12,14-18H2,2-3H3/t23-,24?,25+,26-,28-/m1/s1InChIKey
ACEUHIHDDORUHP-HVRWQOFHSA-NSynonyms
957009-89-1(3aR4aS8aR9aR)3((furan2ylmethyl((4methoxyphenyl)methyl)amino)methyl)8amethyl5methylidene3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3(((furan2ylmethyl)(4methoxybenzyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
957009891
CC12CCCC(=C)C1CC3C(C2)OC(=O)C3CN(CC4=CC=C(C=C4)OC)CC5=CC=CO5
COc1ccc(cc1)CN(CC1C(=O)O(C@H)2(C@@H)1C(C@H)1C(=C)CCC(C@@)1(C2)C)Cc1ccco1
InChI=1SC28H35NO4c119641228(2)152623(1425(19)28)24(27(30)3326)1829(172275133222)162081021(313)11920h5711132326H146121418H223H3t2324?25+2628m1s1
MFCD32649595
ZINC000012864668
ZINC000012864677
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