Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((furan-2-ylmethyl)(4-methoxybenzyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL542230
SMILES COc1ccc(cc1)CN(CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](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/h5,7-11,13-14,19,23-24,26H,4,6,12,15-18H2,1-3H3/t19-,23+,24?,26+,28+/m0/s1InChIKey
YEEQIDRCKNGTNY-JIDFMXIHSA-NSynonyms
956944-69-7(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((furan2ylmethyl((4methoxyphenyl)methyl)amino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((furan2ylmethyl)(4methoxybenzyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16400824
956944697
COc1ccc(cc1)CN(CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C)Cc1ccco1
InChI=1SC28H35NO4c119641228(2)152623(1425(19)28)24(27(30)3326)1829(172275133222)162081021(313)11920h5711131419232426H46121518H213H3t1923+24?26+28+m0s1
MFCD32650020
ZINC000012866310
ZINC000012866316
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